SCHEMBL1497151

SCHEMBL1497151

CN(C)CCC(NC(=O)Nc1cccnc1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 1/20 0.39
GRM5 P41594 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL4231224 0.90 HDAC4 (0.47) UTS2RROCK2ROCK1HDAC4MEF2D
SCHEMBL1482305 0.88 UTS2R (0.43) UTS2RROCK2ROCK1HDAC2
SCHEMBL1496979 0.88 UTS2R (0.47) UTS2RROCK2ROCK1MEN1KMT2A
Hydrochloric Acid SCHEMBL1497060 0.87 UTS2R (0.47) UTS2RROCK2ROCK1KMT2AHDAC1
SCHEMBL1496896 0.87 UTS2R (0.47) UTS2RROCK2ROCK1HDAC3HDAC1
SCHEMBL1497125 0.86 NAMPT (0.42) UTS2RROCK2ROCK1RAB9ANPC1
SCHEMBL1496973 0.86 UTS2R (0.47) UTS2RROCK2ROCK1RAB9ANPC1
SCHEMBL1497138 0.86 UTS2R (0.46) UTS2RROCK2ROCK1
SCHEMBL1497187 0.86 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL1497004 0.85 UTS2R (0.62) UTS2RROCK2ROCK1HDAC1ALDH1A1

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