SCHEMBL8328987

SCHEMBL8328987

CC(C)(C)Oc1ccc(-c2nnn[nH]2)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ERN1 O75460 4/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL8326642 0.85 LMNA (0.47) LMNAERN1ALDH1A1KDM4EHSD17B10
SCHEMBL8329005 0.82 ERN1 (0.39) LMNAERN1ALDH1A1MAPTKDM4E
SCHEMBL24101966 0.69 ERN1 (0.51) ERN1
SCHEMBL30855477 0.69 ERN1 (0.51) ERN1
SCHEMBL187940 0.69 ALDH1A1 (0.54) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL28596364 0.68 CCNT1 (0.47) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL29572281 0.68 CCNT1 (0.47) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6781764 0.68 LMNA (0.38) LMNAERN1ALDH1A1
SCHEMBL8848754 0.68 GRK6 (0.37) LMNAALDH1A1MAPT
SCHEMBL27559288 0.67 MAPT (0.43) LMNAALDH1A1MAPTKDM4EMEN1

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 3 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
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed