SCHEMBL1386145

SCHEMBL1386145

CN(C)c1ncc(C(=O)NCCC(O)c2cccc(NC(=O)NC(C)(C)C)c2)c(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
BACE1 P56817 1/20 0.36
THRB P10828 3/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL1385564 0.90 CASR (0.40) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1386672 0.89 KMT2A (0.43) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1383781 0.87 EPHX2 (0.45) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1386210 0.86 EPHX2 (0.42) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1384630 0.84 SMN1; SMN2 (0.42) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1384916 0.84 EPHX2 (0.45) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1385431 0.84 MAPT (0.42) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1386047 0.84 CASR (0.44) CASRKMT2ALMNAPOLB
SCHEMBL1382882 0.84 LMNA (0.44) CASRLMNAPOLBRXFP1
SCHEMBL1383762 0.84 KCNK3 (0.42) CASRMEN1KMT2AALDH1A1LMNA

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
JP-4825686-B2 2011-11-30 JP claimed