SCHEMBL42947

SCHEMBL42947

O=C=Nc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.60
FAAH O00519 5/20 0.60
HSP90AA1 P07900 4/20 0.50
PKM P14618 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CCR6 P51684 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
DDAH1 O94760 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BCHE P06276 1/20 0.45
CACNA1B Q00975 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26225498 0.88 MGLL (0.45) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL14571384 0.82 MGLL (0.58) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL6847469 0.82 MGLL (0.58) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL22184048 0.81 MGLL (0.38) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL11410714 0.79 MGLL (0.71) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL8194025 0.78 MGLL (0.60) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL95324 0.78 MGLL (1.00) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL7463346 0.77 CYP3A4 (0.42) MGLLTDP1MAPK1ALDH1A1MEN1
SCHEMBL12263887 0.77 MGLL (0.68) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL10652128 0.76 ELANE (0.55) TDP1MAPK1CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2135 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616195-B2 Conjugates between a biopolymer and a photoactivated antimicrobial agent for combating fungal diseases of agricultural interest and methods for producing said conjugates PONTIFICA UNIVERSIDAD CATOLICA DE CHILE (CL) 2026-05-05 US claimed
US-12472267-B2 Compositions containing nucleic acid nanoparticles with modular functionality Sixfold Bioscience Ltd. (GB) 2025-11-18 US claimed
US-12370290-B2 3D-printed scaffolds of peptide conjugate polymer LEHIGH UNIVERSITY (US) 2025-07-29 US claimed
CN-116306111-B Parallelization simulation method for nonlinear interaction of laser and substance 江苏大学 2025-06-03 CN claimed
CN-119627923-A Novel power system-oriented conventional direct current online power flow reversal method 华南理工大学 2025-03-14 CN claimed
CN-119357015-A Parallel program performance track analysis method based on graph neural network 北京航空航天大学 2025-01-24 CN claimed
CN-119264155-A Latent curing agent based on dynamic crosslinking-controllable dissolution mechanism 江南大学 2025-01-07 CN claimed
WO-2024138275-A1 FUNGICIDE FORMULATIONS FOR COMBATING DISEASES OF AGRONOMIC INTEREST AND PRODUCTION METHODS FOR SAME PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE (CL) 2024-07-04 WO claimed
US-12011486-B2 MOMP telonanoparticles, and related compositions, methods and systems LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2024-06-18 US claimed
CN-117999582-A Method and device for generating, data processing, encoding and decoding multi-plane image OPPO广东移动通信有限公司 2024-05-07 CN claimed
US-20060100163-A1 Pharmaceutically active oligosaccharide conjugates FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2006-05-11 US claimed
US-20050233475-A1 Method of immobilizing a substrate of interest to a solid phase in a process using non aqueous or aprotic solvents ROGOSIN INSTITUTE, THE 2005-10-20 US claimed
US-20050169933-A1 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates IMMUNOGEN, INC. 2005-08-04 US claimed
EP-1549350-A1 PHARMACEUTICALLY ACTIVE OLIGOSACCHARIDE CONJUGATES Fresenius Kabi Deutschland GmbH (DE) 2005-07-06 EP claimed
WO-2005052584-A1 METHOD OF IMMOBILIZING A SUBSTANCE OF INTEREST TO A SOLID PHASE THE ROGOSIN INSTITUTE (US) 2005-06-09 WO claimed
US-20050112786-A1 Method of immobilizing a substance of interest to a solid phase ROGOSIN INSTITUTE, THE 2005-05-26 US claimed
WO-2005037992-A2 METHOD OF TARGETING SPECIFIC CELL POPULATIONS USING CELL-BINDING AGENT MAYTANSINOID CONJUGATES LINKED VIA A NON-CLEAVABLE LINKER, SAID CONJUGATES, AND METHODS OF MAKING SAID CONJUGATES IMMUNOGEN, INC. (US) 2005-04-28 WO claimed
US-6848295-B2 Acoustic wave sensor apparatus, method and system using wide bandgap materials WAYNE STATE UNIVERSITY (US) 2005-02-01 US claimed
WO-2004113872-A2 COVALENT METHODS FOR IMMOBILIZATION OF THIOLATED BIOMOLECULES ON SILICEOUS AND METALLIC SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2004-12-29 WO claimed
WO-2004032971-A1 PHARMACEUTICALLY ACTIVE OLIGOSACCHARIDE CONJUGATES FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2004-04-22 WO claimed