SCHEMBL4721948

SCHEMBL4721948

CC(=O)c1cc(C)cc(-c2nn(-c3c(Cl)cccc3Cl)c(=O)c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 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
SCHEMBL4720731 0.93 GAA (0.47) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4722701 0.88 NPSR1 (0.46) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4719415 0.88 ALDH1A1 (0.49) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4724106 0.85 ALDH1A1 (0.41) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4723894 0.85 NPSR1 (0.52) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4720941 0.81 GAA (0.45) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4720945 0.81 GAA (0.45) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4722139 0.80 NPSR1 (0.46) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4720162 0.77 NPSR1 (0.53) NPSR1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4721290 0.77 NPSR1 (0.43) NPSR1HPGDMEN1KMT2ASMN1; SMN2

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed