SCHEMBL1497004

SCHEMBL1497004

COc1cccc(NC(=O)NC(CCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.62
GRM4 Q14833 1/20 0.41
HDAC1 Q13547 1/20 0.41
THRB P10828 1/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2385344 0.91 UTS2R (0.64) UTS2RGRM4HDAC1ROCK2ROCK1
SCHEMBL1496979 0.90 UTS2R (0.47) UTS2RROCK2ROCK1AURKAALDH1A1
SCHEMBL1496896 0.89 UTS2R (0.47) UTS2RHDAC1ROCK2ROCK1AURKA
SCHEMBL1497068 0.89 UTS2R (0.47) UTS2RROCK2ROCK1ALDH1A1
SCHEMBL1497138 0.88 UTS2R (0.46) UTS2RROCK2ROCK1
SCHEMBL11899970 0.88 UTS2R (0.59) UTS2RGRM4THRBROCK2ROCK1
SCHEMBL1497151 0.85 UTS2R (0.42) UTS2RHDAC1ROCK2ROCK1ALDH1A1
SCHEMBL1496973 0.85 UTS2R (0.47) UTS2RHDAC1ROCK2ROCK1ALDH1A1
SCHEMBL1482305 0.85 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL1497089 0.85 UTS2R (0.42) UTS2RROCK2ROCK1AURKARPS6KB1

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