SCHEMBL11260465

SCHEMBL11260465

CC(=O)CC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
POLB P06746 5/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
NLRP3 Q96P20 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
IL18 Q14116 1/20 0.51
KDM1A O60341 1/20 0.51

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
SCHEMBL20941638 0.89 SAE1 (0.62) MAPTSAE1UBA2CA1CA2
SCHEMBL20941640 0.88 KDM1A (0.61) MAPTSAE1UBA2POLBTSHR
SCHEMBL20942593 0.85 KMT2A (0.53) MAPTSAE1UBA2CA1CA2
SCHEMBL8044037 0.85 SAE1 (0.59) MAPTSAE1UBA2CA1CA2
SCHEMBL20941639 0.85 MAPT (0.58) MAPTSAE1UBA2POLBKMT2A
SCHEMBL593172 0.84 MAPT (0.74) MAPTCA1CA2CA4CA7
SCHEMBL25988742 0.84 POLB (0.72) MAPTSAE1UBA2POLBTSHR
SCHEMBL14266363 0.84 SAE1 (0.57) MAPTSAE1UBA2CA1CA2
SCHEMBL841012 0.84 SAE1 (0.57) MAPTSAE1UBA2CA1CA2
Hydrochloric Acid SCHEMBL8034830 0.84 SAE1 (0.57) MAPTSAE1UBA2CA1CA2

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

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040420-A Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection 中国医学科学院医药生物技术研究所 2025-05-27 CN disclosed
US-4366098-A FROM 6-AMINOPENICILIANIC ACID AND ANHYDRIDE OF AMIDE-TYPE DANE SALT WITH ALKYL OR ARALKYL CHLOROCARBONATE AMERICAN HOME PRODUCTS CORPORATION (US) 1982-12-28 US disclosed
US-4301072-A Process for preparing aminopenicillins AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 US disclosed
US-4231954-A Dane salt and process for preparing aminopenicillins therefrom AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-04 US disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed