SCHEMBL1497024

SCHEMBL1497024

Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
NAMPT P43490 4/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HDAC1 Q13547 2/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ROCK2 O75116 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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 0.92 USP2 (0.37) TSHROPRM1OPRD1NAMPTMAPT
SCHEMBL3835471 0.91 HDAC1 (0.44) TSHROPRM1OPRD1NAMPTMAPT
SCHEMBL1496915 0.91 USP2 (0.36) TSHROPRM1OPRD1NAMPTMAPT
SCHEMBL11898574 0.89 TSHR (0.36) TSHROPRM1OPRD1NAMPTMAPT
SCHEMBL1497035 0.89 ALDH1A1 (0.37) TSHRMAPTTP53THRBUSP2
SCHEMBL3835179 0.87 HDAC1 (0.46) TSHRHDAC1THRBALDH1A1KDM4E
SCHEMBL1496969 0.86 AVPR1A (0.33) TSHROPRM1OPRD1MAPTTP53
SCHEMBL2475828 0.86 HDAC1 (0.39) HDAC1
SCHEMBL4393220 0.85 HDAC1 (0.39) HDAC1
SCHEMBL4232503 0.85 HSD17B10 (0.40) TSHROPRM1OPRD1NAMPTMAPT

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