SCHEMBL3119081

SCHEMBL3119081

CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 2/20 0.64
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PYCR1 P32322 1/20 0.47
GAA P10253 1/20 0.47
THRA P10827 1/20 0.46
MTOR P42345 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46

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
SCHEMBL3116059 0.81 ROCK2 (0.67) KMT2AMEN1POLBSMN1; SMN2GAA
SCHEMBL11620122 0.77 KMT2A (0.63) BAZ1AKMT2AMEN1ALDH1A1POLB
SCHEMBL11846748 0.75 PYCR1 (0.53) BAZ1AKMT2AMEN1ALDH1A1POLB
SCHEMBL29566253 0.75 CYP1A2 (0.58) BAZ1AKMT2AMEN1ALDH1A1POLB
SCHEMBL11617516 0.74 NAMPT (0.67) BAZ1AKMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL13234645 0.74 KMT2A (0.62) BAZ1AKMT2AMEN1SMN1; SMN2PYCR1
SCHEMBL11614038 0.73 ALDH1A1 (0.58) BAZ1AKMT2AMEN1ALDH1A1POLB
SCHEMBL3441758 0.73 PYCR1 (0.53) BAZ1AKMT2AMEN1ALDH1A1POLB
SCHEMBL27903466 0.72 KMT2A (0.86) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL11612243 0.72 MTOR (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed