SCHEMBL6507091

SCHEMBL6507091

COCCOC(=O)C1CCC(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.47
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
IKBKB O14920 3/20 0.40
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6506520 0.89 MAPT (0.44) CHEK1MAPK1GFERMAPTPOLB
SCHEMBL6507196 0.80 MAPK1 (0.49) CHEK1MAPK1GFERALOX15TP53
SCHEMBL6530224 0.80 MAPK1 (0.49) CHEK1MAPK1GFERALOX15TP53
Hydrochloric Acid SCHEMBL6506232 0.79 MAPK1 (0.48) CHEK1MAPK1GFERALOX15TP53
SCHEMBL6509035 0.78 MAPK1 (0.48) CHEK1MAPK1GFERMAPTPOLB
SCHEMBL6507207 0.77 MAPK1 (0.47) CHEK1MAPK1GFERMAPTPOLB
SCHEMBL6509261 0.77 MAPK1 (0.49) CHEK1MAPK1GFERIKBKBMAPK10
SCHEMBL6507350 0.74 MAPK1 (0.43) CHEK1MAPK1GFERMAPTPOLB
SCHEMBL6510436 0.74 MAPK1 (0.43) CHEK1MAPK1GFERMAPTPOLB
SCHEMBL6505296 0.71 EPHX2 (0.44) CHEK1MAPK1GFERIKBKBMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed