SCHEMBL875550

SCHEMBL875550

O=C(NCc1ccc(N(C(=O)O)C(=O)O)nc1)Nc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.50
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTR3A P46098 1/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
CHRNA7 P36544 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
SCHEMBL882908 0.89 NAMPT (0.46) NAMPTMEN1POLBKMT2ACHRM1
SCHEMBL875403 0.87 NAMPT (0.53) NAMPTMEN1POLBKMT2ACHRM1
SCHEMBL874264 0.72 ALDH1A1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL882751 0.72 NAMPT (0.44) NAMPTCHRM1HTR2AMCHR1
SCHEMBL3047471 0.72 NAMPT (0.46) NAMPTMEN1POLBKMT2ACHRM1
SCHEMBL874535 0.69 NAMPT (0.48) NAMPTALDH1A1CHRNA7
SCHEMBL873644 0.69 ALDH1A1 (0.61) MEN1POLBKMT2AALDH1A1
SCHEMBL874266 0.69 NAMPT (0.49) NAMPTMEN1POLBKMT2ACHRM1
SCHEMBL882909 0.68 NAMPT (0.49) NAMPTMEN1POLBKMT2ACHRM1
SCHEMBL3055571 0.68 NAMPT (0.49) NAMPTMEN1POLBKMT2ACHRM1

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 2 patents. 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
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed