SCHEMBL10069158

SCHEMBL10069158

CCNc1nc(-c2ccc(N)cc2)sc1C(=O)NCCN1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
SCN9A Q15858 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARA Q07869 1/20 0.36
CHRM4 P08173 2/20 0.36
CYP11B2 P19099 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
USP2 O75604 1/20 0.35
ACVR1 Q04771 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
USP25 Q9UHP3 1/20 0.34

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
SCHEMBL875967 0.83 NAMPT (0.40) PPARAACVR1
SCHEMBL875667 0.80 CD274 (0.42) CD274SCN9ATSHRALDH1A1CYP1A2
SCHEMBL883091 0.75 NAMPT (0.36) CD274ALDH1A1MAPTPPARAHDAC2
SCHEMBL874365 0.74 GAA (0.47) NPC1HPGDALDH1A1MAPTPPARA
SCHEMBL874755 0.73 NAMPT (0.47)
SCHEMBL883107 0.73 TRPM8 (0.49) NPC1HPGDALDH1A1MAPTPPARA
SCHEMBL875067 0.73 NAMPT (0.44)
SCHEMBL874409 0.72 CD274 (0.55) CD274TSHRHPGDALDH1A1CYP1A2
SCHEMBL877527 0.69 IKBKB (0.44) CD274SCN9ACYP1A2CYP2C9
SCHEMBL3433998 0.69 TGFBR1 (0.37) TSHRHPGDALDH1A1MAPTHSD17B10

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