SCHEMBL1386672

SCHEMBL1386672

CN(C)c1ncc(C(=O)NCCC(O)c2cccc(NC(=O)c3ccccc3)c2)c(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CASR P41180 4/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNK3 O14649 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
CSF1R P07333 1/20 0.40
MCHR1 Q99705 2/20 0.39
RIPK1 Q13546 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL1386210 0.95 EPHX2 (0.42) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1384630 0.94 SMN1; SMN2 (0.42) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1384916 0.94 EPHX2 (0.45) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL1386105 0.92 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1383781 0.92 EPHX2 (0.45) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1383762 0.91 KCNK3 (0.42) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1385564 0.90 CASR (0.40) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1385431 0.89 MAPT (0.42) KMT2AMEN1LMNAALDH1A1CASR
SCHEMBL1386047 0.89 CASR (0.44) KMT2ALMNACASRKCNK3MCHR1
SCHEMBL1386145 0.89 CASR (0.39) KMT2AMEN1LMNAALDH1A1CASR

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