SCHEMBL7694233

SCHEMBL7694233

CSc1cccc(NC(=O)c2nc(-c3ccccc3-c3ccccc3)oc2-c2ccc(N(C)C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRM4 Q14833 1/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
KCNK3 O14649 1/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 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
SCHEMBL7694095 0.93 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGRM4ALDH1A1
SCHEMBL7699604 0.89 MAPT (0.47) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7695132 0.86 MAPT (0.49) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7695765 0.83 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7694375 0.83 HSD17B10 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL7693843 0.83 TRPV1 (0.47) SMN1; SMN2NPC1RAB9AGRM4ALDH1A1
SCHEMBL7699148 0.83 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7695493 0.82 NR1H4 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7698114 0.82 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL7701479 0.81 HSP90AA1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed