SCHEMBL7975860

SCHEMBL7975860

NC(=O)Nc1nsc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 9/20 0.54
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX2 P34913 1/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.40

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
SCHEMBL14484081 0.84 EPAS1 (0.53) EPAS1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL19736140 0.80 EPAS1 (0.49) EPAS1MAPTEPHX2GAATP53
SCHEMBL19728699 0.80 EPAS1 (0.49) EPAS1MAPTALDH1A1EPHX2TP53
SCHEMBL29383551 0.80 EPAS1 (0.49) EPAS1MAPTEPHX2TP53SMN1; SMN2
SCHEMBL10764963 0.80 EPAS1 (0.49) EPAS1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL19667984 0.79 EPAS1 (0.59) EPAS1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL7085874 0.78 EPAS1 (0.46) EPAS1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL2480253 0.78 EPAS1 (0.50) EPAS1MAPTKDM4EALDH1A1GAA
SCHEMBL7085876 0.78 EPAS1 (0.46) EPAS1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL10504446 0.77 EPAS1 (0.61) EPAS1MAPTKDM4EALDH1A1HSD17B10

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
US-6316478-B1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-11-13 US disclosed