SCHEMBL1496896

SCHEMBL1496896

CN(C)CCC(NC(=O)Nc1cccc(F)c1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.47
MCHR1 Q99705 1/20 0.41
HDAC1 Q13547 7/20 0.40
HDAC3 O15379 6/20 0.40
HDAC2 Q92769 6/20 0.40
NCOR2 Q9Y618 6/20 0.40
KIT P10721 1/20 0.39
DDR2 Q16832 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MTOR P42345 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 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
SCHEMBL1497122 0.95 UTS2R (0.42) UTS2RMCHR1HDAC1HDAC3HDAC2
SCHEMBL1496979 0.91 UTS2R (0.47) UTS2RKITROCK2ROCK1AURKA
SCHEMBL2384677 0.90 HDAC1 (0.49) UTS2RMCHR1HDAC1HDAC3HDAC2
SCHEMBL1496973 0.90 UTS2R (0.47) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497138 0.90 UTS2R (0.46) UTS2RROCK2ROCK1
SCHEMBL1497004 0.89 UTS2R (0.62) UTS2RHDAC1ROCK2ROCK1AURKA
SCHEMBL1496897 0.88 UTS2R (0.47) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL1496901 0.88 UTS2R (0.45) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497151 0.87 UTS2R (0.42) UTS2RHDAC1HDAC3HDAC2ROCK2
SCHEMBL1496837 0.87 UTS2R (0.46) UTS2RMCHR1KITDDR2ROCK2

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