SCHEMBL9924562

SCHEMBL9924562

O=S(=O)(c1ccc2c(c1)CN(Cc1cccs1)CO2)c1ccc2c(c1)CN(Cc1cccs1)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 1/20 0.40
PKM P14618 2/20 0.37
MLNR O43193 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
DRD4 P21917 7/20 0.36
DRD3 P35462 5/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 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
SCHEMBL23074295 0.74 CYP2D6 (0.53) CYP3A4CYP2D6HIF1ATSHRALOX15
SCHEMBL22424498 0.74 POLB (0.38) CYP3A4CYP2D6HIF1AHTTPKM
SCHEMBL9924561 0.72 GHSR (0.39) KDM4EALDH1A1HSD17B10ALOX15HPGD
SCHEMBL12690258 0.70 HTT (0.42) KDM4EHTTPKMLMNAMAPT
SCHEMBL3674224 0.69 PKM (0.44) CYP3A4CYP2D6HIF1AALDH1A1TSHR
SCHEMBL9924547 0.64 GHSR (0.36) TSHRPKMDRD3DRD2
SCHEMBL30869955 0.63 PKM (0.34) PKMGAAMAPTSMN1; SMN2
SCHEMBL15358763 0.62 CYP2D6 (0.60) CYP3A4CYP2D6HIF1AALOX15DRD4
SCHEMBL30869976 0.62 PKM (0.38) CYP3A4CYP2D6HIF1APKMLMNA
SCHEMBL21509746 0.62 ALDH1A1 (0.64) KDM4EALDH1A1TSHRHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9178237-B2 Conductive composition and method of preparation, polymer thereof, and electrode, electrolyte membrane and fuel cell including the composition or polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-03 US disclosed
US-9178237-B2 Conductive composition and method of preparation, polymer thereof, and electrode, electrolyte membrane and fuel cell including the composition or polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-03 US disclosed
EP-2466675-B1 Conductive composition and method of preparation, polymer thereof, and electrode, electrolyte membrane and fuel cell including the composition or polymer SAMSUNG ELECTRONICS CO LTD (KR) 2013-10-02 EP disclosed
EP-2466675-A1 Conductive composition and method of preparation, polymer thereof, and electrode, electrolyte membrane and fuel cell including the composition or polymer Samsung Electronics Co., Ltd. (KR) 2012-06-20 EP disclosed
US-20120148938-A1 CONDUCTIVE COMPOSITION AND METHOD OF PREPARATION, POLYMER THEREOF, AND ELECTRODE, ELECTROLYTE MEMBRANE AND FUEL CELL INCLUDING THE COMPOSITION OR POLYMER SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-06-14 US disclosed
US-20120148938-A1 CONDUCTIVE COMPOSITION AND METHOD OF PREPARATION, POLYMER THEREOF, AND ELECTRODE, ELECTROLYTE MEMBRANE AND FUEL CELL INCLUDING THE COMPOSITION OR POLYMER SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-06-14 US disclosed