SCHEMBL1497089

SCHEMBL1497089

Cc1cccc(NC(=O)NC(CCCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.42
AURKA O14965 3/20 0.42
ALK Q9UM73 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 5/20 0.38
KIT P10721 3/20 0.38
TEK Q02763 1/20 0.38
FLT3 P36888 3/20 0.37
MAPT P10636 1/20 0.36
AURKB Q96GD4 3/20 0.36
MAP4K4 O95819 2/20 0.36
ABL1 P00519 2/20 0.36
NTRK1 P04629 2/20 0.36
LCK P06239 2/20 0.36
FYN P06241 2/20 0.36
CSF1R P07333 2/20 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
SCHEMBL1496979 0.95 UTS2R (0.47) UTS2RAURKAALKMEN1KMT2A
SCHEMBL1497122 0.91 UTS2R (0.42) UTS2RAURKAALKKDRKIT
SCHEMBL4224028 0.90 UTS2R (0.43) UTS2RAURKAALKMEN1KMT2A
SCHEMBL1496848 0.88 UTS2R (0.42) UTS2RAURKAALKMEN1KMT2A
SCHEMBL1482712 0.88 UTS2R (0.38) UTS2RROCK1ROCK2
SCHEMBL1496896 0.86 UTS2R (0.47) UTS2RAURKAKITAURKBROCK1
SCHEMBL1497138 0.86 UTS2R (0.46) UTS2RROCK1ROCK2
SCHEMBL2382361 0.85 UTS2R (0.49) UTS2RMEN1KMT2AALDH1A1LMNA
SCHEMBL1497004 0.85 UTS2R (0.62) UTS2RAURKAALDH1A1SMN1; SMN2AURKB
SCHEMBL1497151 0.83 UTS2R (0.42) UTS2RMEN1KMT2AALDH1A1ROCK1

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