SCHEMBL15533892

SCHEMBL15533892

CC(=O)Nc1ccc(-c2cc(Cl)ncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
SMO Q99835 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
PRNP P04156 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL4301854 0.82 MAP4K4 (0.56) SMO
SCHEMBL20505074 0.79 NPC1 (0.41) KMT2AMEN1ALDH1A1SMOGAA
SCHEMBL13588460 0.79 KMT2A (0.65) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL1742541 0.78 SMN1; SMN2 (0.56) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4407327 0.77 SMN1; SMN2 (0.55) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL11781911 0.76 KMT2A (0.58) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL3963492 0.76 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL4103913 0.75 CYP1A2 (0.52) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL23973240 0.75 KMT2A (0.63) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL30167511 0.75 KMT2A (0.63) KDM4EKMT2AMEN1MAPTALDH1A1

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
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed