SCHEMBL874805

SCHEMBL874805

CCCCc1nc(-c2ccc(N)cc2)sc1C(=O)NCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
TP53 P04637 3/20 0.43
PPARA Q07869 1/20 0.42
HPGD P15428 5/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
KDR P35968 1/20 0.38
ALOX5 P09917 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL874685 0.86 RAB9A (0.46) MAPTTP53PPARAALDH1A1RAB9A
SCHEMBL875702 0.81 NAMPT (0.44) ALDH1A1SMN1; SMN2
SCHEMBL874409 0.81 CD274 (0.55) MAPTTP53HPGDALDH1A1CYP1A2
SCHEMBL1553829 0.70 MAPT (0.56) MAPTTP53PPARAALDH1A1NPC1
SCHEMBL874282 0.70 SMN1; SMN2 (0.47) MAPTPPARAALDH1A1RAB9ACYP2C9
SCHEMBL2072755 0.68 TRPM8 (0.52) MAPTTP53PPARAALDH1A1RAB9A
SCHEMBL2075214 0.68 PTPN11 (0.55) MAPTTP53ALDH1A1RAB9ANPC1
SCHEMBL2076554 0.67 TRPM8 (0.64) MAPTHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL15655693 0.67 HPGD (0.53) MAPTPPARAHPGDALDH1A1NPC1
SCHEMBL883107 0.66 TRPM8 (0.49) MAPTPPARAHPGDALDH1A1NPC1

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-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed