SCHEMBL1497103

SCHEMBL1497103

CN(C)CCC(NC(=O)NCc1ccco1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.42
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 3/20 0.38
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35

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
SCHEMBL10476427 0.87 UTS2R (0.39) UTS2RALDH1A1TDP1RECQLL3MBTL1
SCHEMBL1496910 0.86 UTS2R (0.41) UTS2RROCK2ROCK1
SCHEMBL1497044 0.85 UTS2R (0.45) UTS2RALDH1A1L3MBTL1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL1496948 0.84 UTS2R (0.47) UTS2RSMN1; SMN2ROCK2ROCK1
SCHEMBL1497073 0.84 UTS2R (0.47) UTS2RMEN1KMT2AGAATSHR
SCHEMBL1497187 0.84 UTS2R (0.42) UTS2RROCK2ROCK1
Hydrochloric Acid SCHEMBL1497060 0.83 UTS2R (0.47) UTS2RALDH1A1RECQLKMT2AHTT
SCHEMBL1482616 0.83 UTS2R (0.41) UTS2RROCK2ROCK1
SCHEMBL1496897 0.83 UTS2R (0.47) UTS2RMAPK1ROCK2ROCK1
SCHEMBL1496971 0.83 UTS2R (0.43) UTS2RALDH1A1TDP1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed