SCHEMBL7536729

SCHEMBL7536729

c1ccc(Oc2cc(-c3cccs3)ncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 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
SCHEMBL1781579 0.78 KDM4E (0.56) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL22063717 0.77 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL13966932 0.77 KDM4E (0.42) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8217612 0.76 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL13409312 0.76 KDM4E (0.40) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL27732880 0.76 ASIC3 (0.55) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL557685 0.72 NPC1 (0.61) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL12608099 0.72 KDM4E (0.48) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL13942151 0.71 IDO1 (0.36) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL1445236 0.70 KDM4E (0.47) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9

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
EP-0819690-B1 Herbicidal 6-thienyl and 4-thienyl pyrimidines BASF AG (DE) 2002-10-09 EP disclosed