SCHEMBL1385564

SCHEMBL1385564

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
BACE1 P56817 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1386145 0.90 CASR (0.39) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1386672 0.90 KMT2A (0.43) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1383781 0.89 EPHX2 (0.45) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1386210 0.87 EPHX2 (0.42) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1384916 0.86 EPHX2 (0.45) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL1385431 0.86 MAPT (0.42) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1384630 0.86 SMN1; SMN2 (0.42) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL1386047 0.86 CASR (0.44) CASRKMT2ALMNAPOLBKDM4E
SCHEMBL1382882 0.86 LMNA (0.44) CASRLMNAPOLBRXFP1SMN1; SMN2
SCHEMBL1383762 0.85 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