SCHEMBL882908

SCHEMBL882908

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CNC(=O)Nc2ccc(-c3ccc(C(=O)NCCN4CCCCC4)o3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.46
CD274 Q9NZQ7 1/20 0.41
ALOX15 P16050 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
JAK2 O60674 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL875550 0.89 NAMPT (0.50) NAMPTPIK3CAMTORPIK3CGALDH1A1
SCHEMBL882751 0.84 NAMPT (0.44) NAMPTCD274CHRM1HTR2AMCHR1
SCHEMBL875403 0.82 NAMPT (0.53) NAMPTALDH1A1CHRM1HTR2AMCHR1
SCHEMBL883091 0.75 NAMPT (0.36) NAMPTCD274ALDH1A1JAK2ATM
SCHEMBL10070169 0.75 NAMPT (0.36) NAMPTCD274JAK2ATM
SCHEMBL3045560 0.71 NAMPT (0.56) NAMPTCD274CHRM1HTR2AMCHR1
SCHEMBL3434854 0.70 TP53 (0.37) HTR2AMCHR1
SCHEMBL3048972 0.70 NAMPT (0.55) NAMPTCD274PIK3CAMTORCHRM1
SCHEMBL3047471 0.70 NAMPT (0.46) NAMPTCHRM1HTR2AMCHR1MEN1
SCHEMBL874264 0.69 ALDH1A1 (0.55) CD274ALOX15ALDH1A1MEN1KMT2A

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