SCHEMBL1496935

SCHEMBL1496935

Nc1cscc1NC(=O)c1ccc(C(CCN2CCCC2)NC(=O)Nc2ccsc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.38
ROCK2 O75116 5/20 0.37
ROCK1 Q13464 3/20 0.37
MAPK1 P28482 2/20 0.36
CCR5 P51681 1/20 0.34
KCNH2 Q12809 3/20 0.33
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
AKT3 Q9Y243 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C18 P33260 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PIM1 P11309 1/20 0.32
HDAC3 O15379 3/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL1497031 0.96 AKT1 (0.35) UTS2RROCK2ROCK1MAPK1KCNH2
SCHEMBL1496936 0.94 CYP1A2 (0.38) UTS2RMAPK1CCR5KCNH2AKT1
SCHEMBL1497095 0.93 AKT1 (0.35) ROCK2ROCK1KCNH2AKT1AKT2
SCHEMBL1497007 0.89 ROCK2 (0.37) ROCK2KCNH2AKT1AKT2AKT3
SCHEMBL1497117 0.86 UTS2R (0.35) UTS2RROCK2ROCK1MAPK1CCR5
SCHEMBL1482305 0.83 UTS2R (0.43) UTS2RROCK2ROCK1HDAC2
SCHEMBL1497057 0.83 ACHE (0.38) UTS2RMAPK1
SCHEMBL1482712 0.82 UTS2R (0.38) UTS2RROCK2ROCK1MAPK1AKT1
SCHEMBL4233251 0.82 HDAC1 (0.39) ROCK2KCNH2AKT1AKT2AKT3
SCHEMBL1497013 0.81 CSF1R (0.36) MAPK1CCR5AKT1HDAC3

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