SCHEMBL1496971

SCHEMBL1496971

COc1ccccc1CNC(=O)NC(CCN(C)C)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.43
POLB P06746 2/20 0.41
ANO1 Q5XXA6 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
GAA P10253 2/20 0.38
ANPEP P15144 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL10476441 0.88 UTS2R (0.41) UTS2RPOLBANO1ALDH1A1HPGD
SCHEMBL1497059 0.86 UTS2R (0.47) UTS2RPOLBALDH1A1HPGD
SCHEMBL1497044 0.86 UTS2R (0.45) UTS2RALDH1A1KDM4EKMT2AALOX15
SCHEMBL1497068 0.85 UTS2R (0.47) UTS2RALDH1A1HPGDKDM4EMEN1
SCHEMBL1496910 0.84 UTS2R (0.41) UTS2RROCK2ROCK1
SCHEMBL1497073 0.84 UTS2R (0.47) UTS2RMAPK1MEN1KMT2AGAA
SCHEMBL1496981 0.83 HIF1A (0.44) UTS2RKMT2AGAA
SCHEMBL1497103 0.83 UTS2R (0.42) UTS2RMAPK1ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL1496948 0.83 UTS2R (0.47) UTS2RROCK2ROCK1
SCHEMBL1483181 0.83 UTS2R (0.47) UTS2RMEN1KMT2AROCK2ROCK1

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-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed