SCHEMBL6804575

SCHEMBL6804575

Cc1cc(COc2ccc(C[C]=O)cc2)nc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.42
MAPT P10636 5/20 0.39
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE2A O00408 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6803571 0.82 RAB9A (0.40) PDE2ASMN1; SMN2RAB9A
SCHEMBL6804638 0.77 GRM5 (0.41) MAPTKDM4EALDH1A1PDE2AHPGD
SCHEMBL6804848 0.76 PDE2A (0.42) ALDH1A1PDE2ASMN1; SMN2NPC1RAB9A
SCHEMBL6804893 0.75 SOD1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3970211 0.74 ADAM17 (0.57)
SCHEMBL6804913 0.73 PARP10 (0.56) FFAR1MAPTALDH1A1SMN1; SMN2
SCHEMBL6803414 0.71 RAB9A (0.43) FFAR1PDE2ASMN1; SMN2NPC1RAB9A
SCHEMBL6804907 0.71 MAOB (0.41) ALDH1A1NPC1RAB9A
SCHEMBL6800379 0.71 ALDH1A1 (0.63) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6806069 0.70 ADAM17 (0.39) FFAR1MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed