SCHEMBL873584

SCHEMBL873584

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 3/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
NAMPT P43490 1/20 0.37
DGAT1 O75907 1/20 0.37
KCNA5 P22460 1/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL874837 0.90 KMT2A (0.37) KMT2AMAPTRAB9AATMRXFP1
SCHEMBL874835 0.88 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL874291 0.88 CHRNA7 (0.39) KMT2AMAPTRAB9AATMRXFP1
SCHEMBL873820 0.85 ATR (0.46) KMT2AMEN1NPSR1NAMPTJAK2
SCHEMBL874280 0.85 BCHE (0.39) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL874082 0.81 MAPT (0.38) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL874570 0.79 MOK (0.43) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL874515 0.79 ATR (0.43) NPSR1NAMPTJAK2
SCHEMBL874210 0.78 MAPT (0.40) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL874281 0.78 RAB9A (0.40) KMT2AMEN1MAPTALDH1A1GAA

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