SCHEMBL1497202

SCHEMBL1497202

NC(=O)N(CCCCCCN1CCOCC1)Cc1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
TSHR P16473 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NAMPT P43490 4/20 0.37
SIGMAR1 Q99720 4/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 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
SCHEMBL1497079 0.88 USP2 (0.42) USP2HIF1AEPAS1TSHROPRM1
SCHEMBL1482267 0.87 USP2 (0.44) USP2HIF1AEPAS1TSHROPRM1
SCHEMBL1496957 0.87 KDM4E (0.43) USP2TSHROPRM1OPRD1ALDH1A1
SCHEMBL1496934 0.86 USP2 (0.43) USP2HIF1AEPAS1TSHROPRM1
SCHEMBL1497036 0.85 USP2 (0.45) USP2HIF1AEPAS1TSHROPRM1
SCHEMBL8000862 0.85 USP2 (0.48) USP2TSHROPRM1OPRD1ALDH1A1
SCHEMBL13570016 0.85 HDAC1 (0.47) USP2TSHRNAMPTHDAC1
SCHEMBL1482239 0.85 NAMPT (0.43) USP2TSHROPRM1OPRD1NAMPT
SCHEMBL7998655 0.85 USP2 (0.46) USP2TSHROPRM1OPRD1ALDH1A1
SCHEMBL1497080 0.84 USP2 (0.44) USP2TSHROPRM1OPRD1NAMPT

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