SCHEMBL1497005

SCHEMBL1497005

CN(C)CCCC(NC(=O)NCCc1ccccc1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.42
HIF1A Q16665 2/20 0.38
EPHX2 P34913 4/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL1483181 0.95 UTS2R (0.47) UTS2RHIF1AMEN1TSHRKMT2A
SCHEMBL1496894 0.92 UTS2R (0.46) UTS2REPHX2HDAC1
SCHEMBL2385692 0.91 HDAC1 (0.45) UTS2RHIF1AEPHX2HDAC3HDAC1
SCHEMBL1497017 0.91 HIF1A (0.46) UTS2RHIF1A
SCHEMBL1497037 0.87 UTS2R (0.38) UTS2RHIF1AHDAC3HDAC1HDAC2
SCHEMBL1496899 0.87 CTSK (0.40) UTS2RHIF1AEPHX2MEN1KMT2A
SCHEMBL1497076 0.87 UTS2R (0.40) UTS2R
SCHEMBL1496898 0.86 HDAC3 (0.38) HIF1AEPHX2KMT2AHDAC3HDAC1
SCHEMBL4224174 0.86 UTS2R (0.49) UTS2RHIF1AHDAC3HDAC1HDAC2
SCHEMBL1497206 0.86 UTS2R (0.46) UTS2RMEN1KMT2AHDAC3HDAC1

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