SCHEMBL1496973

SCHEMBL1496973

CN(C)CCC(NC(=O)Nc1ccc(F)cc1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.47
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HDAC1 Q13547 10/20 0.40
HDAC3 O15379 9/20 0.40
HDAC2 Q92769 9/20 0.40
NCOR2 Q9Y618 8/20 0.40
HDAC8 Q9BY41 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1496896 0.90 UTS2R (0.47) UTS2RROCK2ROCK1HDAC1HDAC3
SCHEMBL1482305 0.90 UTS2R (0.43) UTS2RROCK2ROCK1HDAC2
SCHEMBL1496901 0.89 UTS2R (0.45) UTS2RROCK2ROCK1HDAC1HDAC3
SCHEMBL1497073 0.89 UTS2R (0.47) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497037 0.88 UTS2R (0.38) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497187 0.87 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL1482616 0.87 UTS2R (0.41) UTS2RROCK2ROCK1
SCHEMBL1497151 0.86 UTS2R (0.42) UTS2RROCK2ROCK1HDAC1HDAC3
SCHEMBL1496871 0.86 UTS2R (0.47) UTS2RROCK2ROCK1HDAC1NPC1
SCHEMBL1496910 0.86 UTS2R (0.41) UTS2RROCK2ROCK1

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