SCHEMBL8113168

SCHEMBL8113168

COc1ccc2[nH]c3nc4ccccc4nc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
POLB P06746 5/20 0.59
TP53 P04637 4/20 0.59
CASP1 P29466 2/20 0.59
MAPK10 P53779 2/20 0.59
CASP7 P55210 2/20 0.59
MAPT P10636 6/20 0.56
ALDH1A1 P00352 8/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 3/20 0.54
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
LMNA P02545 2/20 0.50
NQO2 P16083 1/20 0.50
CYP1A2 P05177 2/20 0.49

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
SCHEMBL8832028 0.80 NPC1 (0.65) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL17274878 0.78 MEN1 (0.51) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL9706263 0.77 CASP1 (0.65) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL8689043 0.77 KDM4E (0.54) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL29572859 0.76 RAB9A (1.00) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL278729 0.76 RAB9A (1.00) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL29506296 0.75 ALDH1A1 (0.63) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL28389229 0.75 ALDH1A1 (0.63) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL9436884 0.75 RAB9A (0.62) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL17274929 0.75 ACHE (0.46) SMN1; SMN2NPC1RAB9APOLBTP53

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
EP-1037638-A1 AGENTS Lundblad, Leif J., I. (SE) 2000-09-27 EP disclosed
WO-1999030712-A1 AGENTS LUNDBLAD, LEIF, J., I. (SE) 1999-06-24 WO disclosed