SCHEMBL874300

SCHEMBL874300

CCNc1nc(-c2ccc(NC(=O)c3cc4ccc(N)nc4s3)cc2)ccc1C(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
ROCK1 Q13464 2/20 0.37
POLB P06746 4/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 2/20 0.34
NCOA2 Q15596 2/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TP53 P04637 4/20 0.34
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 3/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL875385 0.86 MAPT (0.40) MAPTROCK1POLBLMNATDP1
SCHEMBL874210 0.77 MAPT (0.40) MAPTROCK1NPSR1TP53RXFP1
SCHEMBL3050012 0.76 NLRP3 (0.40) MAPTTP53RXFP1MEN1RAB9A
SCHEMBL874570 0.75 MOK (0.43) MAPTROCK1TP53MEN1RAB9A
SCHEMBL874083 0.74 KDM4E (0.38) MAPTROCK1POLBLMNATDP1
SCHEMBL874837 0.74 KMT2A (0.37) MAPTROCK1RXFP1RAB9AKMT2A
SCHEMBL3053572 0.73 NAMPT (0.48) POLBROCK2HDAC1PDPK1
SCHEMBL874246 0.73 PDE4B (0.44) MAPTPOLBLMNATDP1PPARG
SCHEMBL874571 0.72 MAPT (0.38) MAPTROCK1POLBLMNANPSR1
SCHEMBL874686 0.71 CYP3A4 (0.42) NPSR1CYP3A4CYP2D6CYP2C9KCNH2

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