SCHEMBL1496915

SCHEMBL1496915

Nc1cscc1NC(=O)c1ccc(CN(CCCCN2CCOCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
MAPT P10636 5/20 0.34
TSHR P16473 4/20 0.34
HSD17B10 Q99714 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
THRB P10828 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ROCK2 O75116 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
NAMPT P43490 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1496990 0.98 USP2 (0.37) USP2MAPTTSHRHSD17B10OPRM1
SCHEMBL1497035 0.96 ALDH1A1 (0.37) USP2MAPTTSHRLMNAALDH1A1
SCHEMBL2386867 0.93 HSD17B10 (0.38) USP2MAPTTSHRHSD17B10OPRM1
SCHEMBL4228734 0.92 HSD17B10 (0.37) USP2MAPTTSHRHSD17B10OPRM1
SCHEMBL1496969 0.92 AVPR1A (0.33) USP2MAPTTSHROPRM1OPRD1
SCHEMBL4232503 0.91 HSD17B10 (0.40) USP2MAPTTSHRHSD17B10OPRM1
SCHEMBL1497024 0.91 TSHR (0.37) USP2MAPTTSHRHSD17B10OPRM1
SCHEMBL1496844 0.90 USP2 (0.36) USP2MAPTTSHRHSD17B10OPRM1
SCHEMBL1497027 0.90 ALDH1A1 (0.31) MAPTTSHRLMNAALDH1A1THRB
SCHEMBL1497186 0.88 HDAC1 (0.33)

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