SCHEMBL1497059

SCHEMBL1497059

COc1ccc(CNC(=O)NC(CCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.47
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
NCOR2 Q9Y618 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
SCHEMBL1497206 0.92 UTS2R (0.46) UTS2RHDAC1HDAC3HDAC2HDAC10
SCHEMBL1497068 0.91 UTS2R (0.47) UTS2RALDH1A1HPGD
SCHEMBL1497073 0.90 UTS2R (0.47) UTS2RHDAC1HDAC3HDAC2NCOR2
Hydrochloric Acid SCHEMBL1496948 0.89 UTS2R (0.47) UTS2R
SCHEMBL1497003 0.88 UTS2R (0.44) UTS2RRAB9AALDH1A1CYP1A2POLB
SCHEMBL1496971 0.86 UTS2R (0.43) UTS2RALDH1A1POLBHPGD
SCHEMBL1496910 0.86 UTS2R (0.41) UTS2R
Hydrochloric Acid SCHEMBL1497060 0.85 UTS2R (0.47) UTS2RALDH1A1HDAC1
SCHEMBL1496897 0.84 UTS2R (0.47) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497044 0.84 UTS2R (0.45) UTS2RRAB9AALDH1A1L3MBTL1

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