SCHEMBL1497044

SCHEMBL1497044

CN(C)CCC(NC(=O)NCc1ccccn1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.45
NPC1 O15118 4/20 0.41
KMT2A Q03164 3/20 0.39
RAB9A P51151 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL1496910 0.87 UTS2R (0.41) UTS2R
Hydrochloric Acid SCHEMBL1496948 0.87 UTS2R (0.47) UTS2R
SCHEMBL1496861 0.87 UTS2R (0.42) UTS2RNPC1KMT2ARAB9AKDM4E
Hydrochloric Acid SCHEMBL1497060 0.86 UTS2R (0.47) UTS2RKMT2AALDH1A1
SCHEMBL1496971 0.86 UTS2R (0.43) UTS2RKMT2AKDM4EALDH1A1ALOX15
SCHEMBL1497103 0.85 UTS2R (0.42) UTS2RNPC1KMT2ARAB9AL3MBTL1
SCHEMBL1497073 0.85 UTS2R (0.47) UTS2RKMT2A
SCHEMBL1483181 0.85 UTS2R (0.47) UTS2RKMT2A
SCHEMBL1497187 0.85 UTS2R (0.42) UTS2R
SCHEMBL1482616 0.84 UTS2R (0.41) UTS2R

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