SCHEMBL883091

SCHEMBL883091

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3)cc2)sc1C(=O)NCCN1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.36
CD274 Q9NZQ7 1/20 0.35
HDAC1 Q13547 2/20 0.33
MAPKAPK2 P49137 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ATM Q13315 1/20 0.32
PPARA Q07869 1/20 0.31
ACKR3 P25106 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL10070169 0.88 NAMPT (0.36) NAMPTCD274HDAC1RXFP1ATM
SCHEMBL875967 0.85 NAMPT (0.40) NAMPTHDAC1RXFP1ATMPPARA
SCHEMBL874755 0.78 NAMPT (0.47) NAMPTHDAC1
SCHEMBL3053311 0.76 NAMPT (0.48) NAMPTCD274HDAC1MAPKAPK2JAK2
SCHEMBL875067 0.76 NAMPT (0.44) NAMPTHDAC1
SCHEMBL882908 0.75 NAMPT (0.46) NAMPTCD274ATMALDH1A1JAK2
SCHEMBL10069158 0.75 CD274 (0.41) CD274PPARAALDH1A1MAPTHDAC2
SCHEMBL882751 0.74 NAMPT (0.44) NAMPTCD274HDAC1ATMJAK2
SCHEMBL875170 0.73 HDAC1 (0.41) NAMPTHDAC1RXFP1JAK2
SCHEMBL3051319 0.72 NAMPT (0.40) NAMPTHDAC1JAK2

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