SCHEMBL5133380

SCHEMBL5133380

Cc1cc2cn[nH]c2cc1NC(=O)c1cc([N+](=O)[O-])cc(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
RORC P51449 4/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
NOS1 P29475 2/20 0.39
MAOB P27338 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 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
SCHEMBL2931205 0.82 L3MBTL1 (0.43) L3MBTL1RORCMAPTKMT2AMEN1
SCHEMBL2926183 0.77 L3MBTL1 (0.41) L3MBTL1RORCMAPTKMT2AMEN1
SCHEMBL2927134 0.73 ALDH1A1 (0.39) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5133378 0.69 MAPT (0.46) RORCMAPTKMT2AMEN1POLB
SCHEMBL29438429 0.68 RAB9A (0.57) L3MBTL1RORCMAPTKMT2AMEN1
SCHEMBL18167974 0.67 L3MBTL1 (0.68) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10710433 0.66 RORC (0.61) RORCMAPTKMT2AMEN1ALDH1A1
SCHEMBL10743441 0.66 RORC (0.61) L3MBTL1RORCMAPTKMT2AMEN1
SCHEMBL1744194 0.65 CHEK1 (0.45) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10733809 0.64 KMT2A (0.58) L3MBTL1RORCMAPTKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed