SCHEMBL883107

SCHEMBL883107

CCNc1nc(-c2ccc(N)cc2)sc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.49
CDC7 O00311 6/20 0.48
DBF4 Q9UBU7 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 1/20 0.41
APP P05067 1/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL874365 0.88 GAA (0.47) TRPM8CDC7DBF4MAPTKDM4E
SCHEMBL3864037 0.75 CDC7 (0.64) TRPM8CDC7DBF4KDM4EGAA
SCHEMBL882720 0.74 KDM4E (0.53) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL2823339 0.73 CDC7 (0.73) TRPM8CDC7DBF4MAPTKDM4E
SCHEMBL10069158 0.73 CD274 (0.41) MAPTALDH1A1LMNAPPARANPC1
SCHEMBL5192927 0.72 KDM4E (0.57) TRPM8CDC7DBF4MAPTKDM4E
SCHEMBL17374792 0.72 CDC7 (0.56) TRPM8CDC7DBF4L3MBTL1MAPT
SCHEMBL3823856 0.72 TRPM8 (0.56) TRPM8MAPTKDM4EGAAMEN1
SCHEMBL15049127 0.72 TRPM8 (0.62) TRPM8CDC7DBF4MAPTKDM4E
SCHEMBL5255659 0.71 SMN1; SMN2 (0.57) TRPM8CDC7DBF4L3MBTL1MAPT

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