SCHEMBL1386007

SCHEMBL1386007

CN(C)c1ncc(C(=O)NCCC(O)c2cccc(OCc3ccccc3)c2)c(-c2ccccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASR P41180 6/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 2/20 0.39
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MAOB P27338 1/20 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
SCHEMBL1386123 0.91 CASR (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3942200 0.81 ALOX5 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL1383385 0.81 CASR (0.49) CASRSPHK2SPHK1
SCHEMBL1385738 0.79 CASR (0.46) CASR
SCHEMBL1385543 0.75 CASR (0.54) CASR
SCHEMBL1384720 0.74 CASR (0.46) CASRALDH1A1
SCHEMBL1383618 0.74 ALOX5 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAOB
SCHEMBL1383781 0.73 EPHX2 (0.45) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1386105 0.73 MEN1 (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1385344 0.73 CASR (0.54) CASR

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