SCHEMBL1497017

SCHEMBL1497017

CN(C)CCC(NC(=O)NCCc1ccc(-c2ccccc2)cc1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.46
UTS2R Q9UKP6 16/20 0.45
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL1483181 0.95 UTS2R (0.47) HIF1AUTS2RROCK2ROCK1
SCHEMBL1497005 0.91 UTS2R (0.42) HIF1AUTS2R
SCHEMBL1497037 0.91 UTS2R (0.38) HIF1AUTS2R
SCHEMBL1496894 0.91 UTS2R (0.46) UTS2R
SCHEMBL1497206 0.89 UTS2R (0.46) UTS2R
SCHEMBL10476396 0.88 UTS2R (0.42) HIF1AUTS2RROCK2ROCK1
SCHEMBL1497076 0.87 UTS2R (0.40) UTS2R
SCHEMBL4224174 0.86 UTS2R (0.49) HIF1AUTS2R
SCHEMBL1496981 0.86 HIF1A (0.44) HIF1AUTS2R
SCHEMBL1496939 0.85 UTS2R (0.38) UTS2R

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