SCHEMBL30180980

SCHEMBL30180980

N=C(N)NCCC[C@H](NN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ACE P12821 3/20 0.51
▸ ERAP2 Q6P179 1/20 0.50
▸ ITGB2 P05107 3/20 0.49
▸ ICAM1 P05362 3/20 0.49
▸ ITGAL P20701 3/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4947716 0.86 KDM4E (0.56) ALOX15KMT2AKDM4EMEN1LMNA
SCHEMBL31074779 0.86 ACE (0.58) ALOX15KMT2AKDM4EMEN1LMNA
SCHEMBL13605071 0.86 KDM4E (0.56) ALOX15KMT2AKDM4EMEN1LMNA
SCHEMBL4947728 0.86 KDM4E (0.56) ALOX15KMT2AKDM4EMEN1LMNA
SCHEMBL9852014 0.86 ACE (0.58) ALOX15KMT2AKDM4EMEN1LMNA
SCHEMBL5326395 0.86 ACE (0.58) ALOX15KMT2AKDM4EMEN1LMNA
SCHEMBL13604887 0.86 MC4R (0.57) ALOX15KMT2AACE
SCHEMBL30085020 0.86 ACE (0.52) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL29924961 0.86 ACE (0.55) ALOX15ACEERAP2
SCHEMBL29924965 0.86 ACE (0.55) ALOX15ACEERAP2

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
EP-4537663-A1 INCLUSION COMPLEX COMPRISING TRYPTOPHAN AND ARGININE; FERTILISING, BIOSTIMULANT AND ANTIMICROBIAL COMPOSITION COMPRISING SAME; PRODUCTION METHOD THEREOF; AND USE THEREOF Universidad de Valladolid (ES) 2025-04-16 — — EP disclosed
CN-117903183-A Detection viscosity and ONOO-And SO2Near infrared fluorescent probe of (2), preparation method and application thereof 山西白求恩医院(山西医学科学院、华中科技大学同济医学院附属同济医院山西医院、山西医科大学第三医院、山西医科大学第三临床医学院) 2024-04-19 — — CN disclosed
WO-2023014970-A9 NORA INHIBITORS AND METHODS OF USE NEW YORK UNIVERSITY (US) 2024-02-22 — — WO disclosed
WO-2023237791-A1 INCLUSION COMPLEX COMPRISING TRYPTOPHAN AND ARGININE; FERTILISING, BIOSTIMULANT AND ANTIMICROBIAL COMPOSITION COMPRISING SAME; PRODUCTION METHOD THEREOF; AND USE THEREOF UNIVERSIDAD DE VALLADOLID (ES) 2023-12-14 — — WO disclosed
WO-2023014970-A2 NORA INHIBITORS AND METHODS OF USE NEW YORK UNIVERSITY (US) 2023-02-09 — — WO disclosed
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