SCHEMBL1497068

SCHEMBL1497068

COc1cccc(CNC(=O)NC(CCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.47
ROCK2 O75116 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ROCK1 Q13464 3/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ANPEP P15144 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKACA P17612 1/20 0.39
GRK5 P34947 1/20 0.39
PRKX P51817 1/20 0.39

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
SCHEMBL1497059 0.91 UTS2R (0.47) UTS2RALDH1A1HPGD
SCHEMBL1496897 0.89 UTS2R (0.47) UTS2RROCK2ROCK1ATG4BANPEP
SCHEMBL1497004 0.89 UTS2R (0.62) UTS2RROCK2ALDH1A1ROCK1
SCHEMBL1496907 0.88 UTS2R (0.45) UTS2RROCK2ALDH1A1ROCK1ATG4B
Hydrochloric Acid SCHEMBL1497060 0.85 UTS2R (0.47) UTS2RROCK2ALDH1A1ROCK1KMT2A
SCHEMBL1496971 0.85 UTS2R (0.43) UTS2RROCK2ALDH1A1KDM4EHPGD
SCHEMBL1497206 0.85 UTS2R (0.46) UTS2RMEN1KMT2A
Hydrochloric Acid SCHEMBL1496948 0.84 UTS2R (0.47) UTS2RROCK2ROCK1
SCHEMBL1497073 0.84 UTS2R (0.47) UTS2RANPEPMEN1GAAKMT2A
SCHEMBL1496910 0.83 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