SCHEMBL8326642

SCHEMBL8326642

COc1ccc(-c2nnn[nH]2)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ERN1 O75460 12/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
HSD17B10 Q99714 1/20 0.38
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL8328987 0.85 LMNA (0.39) LMNAERN1KDM4EALDH1A1RAF1
SCHEMBL8329005 0.85 ERN1 (0.39) LMNAERN1KDM4EALDH1A1
SCHEMBL187940 0.82 ALDH1A1 (0.54) LMNAKDM4EALDH1A1TDP1HSD17B10
SCHEMBL6608296 0.79 GRK6 (0.45) LMNAKDM4EALDH1A1TDP1HSD17B10
SCHEMBL6781764 0.78 LMNA (0.38) LMNAERN1ALDH1A1TDP1
SCHEMBL3044550 0.78 HSD17B10 (0.47) KDM4EALDH1A1TSHRTDP1HSD17B10
SCHEMBL705661 0.78 MAPT (0.49) KDM4EALDH1A1TDP1HSD17B10
SCHEMBL10765716 0.78 KDM4E (0.40) LMNAKDM4EALDH1A1TDP1HSD17B10
SCHEMBL7462417 0.76 CFD (0.44) KDM4EALDH1A1TDP1HSD17B10
SCHEMBL6789801 0.76 DHFR (0.44) KDM4EALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
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-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 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-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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