SCHEMBL7694095

SCHEMBL7694095

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GRM4 Q14833 1/20 0.47
MAPT P10636 6/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KCNK3 O14649 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
SIRT1 Q96EB6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
USP2 O75604 1/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL7694233 0.93 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7693843 0.90 TRPV1 (0.47) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7699798 0.87 GAA (0.59) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7698238 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1GAAMAPTRXFP1
SCHEMBL7699977 0.81 MAPT (0.49) SMN1; SMN2ALDH1A1GAAMAPTRXFP1
SCHEMBL7699604 0.80 MAPT (0.47) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7696428 0.79 STAT3 (0.55) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7693822 0.79 NR1H4 (0.48) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7699232 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL7695132 0.77 MAPT (0.49) SMN1; SMN2ALDH1A1GAANPC1RAB9A

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