SCHEMBL8534329

SCHEMBL8534329

COc1ccc(Cn2cnnn2)cc1C=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
TUBB1 Q9H4B7 1/20 0.40
PDE4B Q07343 2/20 0.40
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ERN1 O75460 1/20 0.38

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
SCHEMBL187941 0.83 KMT2A (0.76) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL8647253 0.79 KMT2A (0.62) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL6997910 0.78 KMT2A (0.64) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL6998331 0.77 MEN1 (0.63) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL6998217 0.77 KMT2A (0.63) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL8534644 0.76 TUBB1 (0.40) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL9681414 0.75 ALDH1A1 (0.52) KDM4EL3MBTL1TUBB1ALDH1A1TSHR
SCHEMBL29951235 0.75 ALDH1A1 (0.52) KDM4EL3MBTL1TUBB1ALDH1A1TSHR
SCHEMBL311297 0.74 KCNJ1 (0.54) KMT2AMEN1ALDH1A1TSHR
SCHEMBL6115563 0.74 KCNJ1 (0.51) KMT2AMEN1CYP1A2CYP2C9KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed