SCHEMBL7973898

SCHEMBL7973898

CC(=O)Nc1ccc(-c2n[nH]c(-c3nc4cc(CN)ccc4[nH]3)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
TP53 P04637 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TTK P33981 1/20 0.43
MAPK8 P45983 1/20 0.43
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
F11 P03951 1/20 0.42
F7 P08709 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 3/20 0.41
HPSE Q9Y251 1/20 0.41
CASP3 P42574 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
SCHEMBL7961139 0.89 F9 (0.47) TTKF9F10F11F7
SCHEMBL20307797 0.85 F9 (0.47) ALDH1A1KDM4EF9F10F11
SCHEMBL10140109 0.82 SMN1; SMN2 (0.44) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7971260 0.81 F9 (0.45) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7971254 0.78 F9 (0.41) ALDH1A1KDM4EF9F10F11
SCHEMBL7978374 0.77 F9 (0.54) ALDH1A1MEN1KMT2AF9F10
SCHEMBL20307773 0.75 F9 (0.43) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7971532 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7974859 0.74 F9 (0.68) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7979892 0.73 HPSE (0.47) HPSE

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed