SCHEMBL1384630

SCHEMBL1384630

CN(C)c1ncc(C(=O)NCCC(O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASR P41180 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1386672 0.94 KMT2A (0.43) SMN1; SMN2KCNK3LMNACYP1A2CYP2C9
SCHEMBL1386105 0.89 MEN1 (0.47) SMN1; SMN2KCNK3KCNK9LMNACASR
SCHEMBL1384916 0.89 EPHX2 (0.45) SMN1; SMN2KCNK3LMNACYP2C9CYP2C19
SCHEMBL1386210 0.89 EPHX2 (0.42) SMN1; SMN2KCNK3LMNACASRPOLB
SCHEMBL1383781 0.89 EPHX2 (0.45) SMN1; SMN2KCNK3KCNK9LMNACASR
SCHEMBL1383762 0.87 KCNK3 (0.42) SMN1; SMN2KCNK3KCNK9LMNACASR
SCHEMBL1385564 0.86 CASR (0.40) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL1386047 0.85 CASR (0.44) KCNK3KCNK9LMNACASRPOLB
SCHEMBL1385431 0.85 MAPT (0.42) SMN1; SMN2KCNK3KCNK9LMNACASR
SCHEMBL1386145 0.84 CASR (0.39) LMNACASRPOLBTHRBMEN1

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