SCHEMBL874835

SCHEMBL874835

CC(C)NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
MAPT P10636 7/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 3/20 0.43
ROCK2 O75116 2/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 1/20 0.39
CSF1R P07333 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
DGAT1 O75907 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CHRNA7 P36544 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL874210 0.88 MAPT (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL873584 0.88 KMT2A (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL873877 0.87 CHRNA7 (0.42) MAPTRAB9AALDH1A1ROCK2CSF1R
SCHEMBL874280 0.82 BCHE (0.39) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL873820 0.82 ATR (0.46) MEN1KMT2ANPSR1JAK2CHRNA7
SCHEMBL873821 0.81 NAMPT (0.39) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL874281 0.81 RAB9A (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL875385 0.78 MAPT (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL874339 0.78 MKNK1 (0.39) MAPTRAB9ANPSR1MAPK1GAA
SCHEMBL874837 0.77 KMT2A (0.37) KMT2AMAPTRAB9AJAK2NPC1

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