SCHEMBL5140754

SCHEMBL5140754

C=CC(c1cccc2c1Cc1ccccc1-2)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PNMT P11086 1/20 0.38
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
MAOA P21397 2/20 0.35
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
MIF P14174 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL28846461 0.78 PNMT (0.42) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL7702275 0.76 HTR7 (0.39) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL17186644 0.75 PNMT (0.42) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL10774986 0.75 PNMT (0.46) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL7702272 0.73 HTR7 (0.39) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL27581444 0.72 PNMT (0.41) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL8954462 0.72 SRC (0.33) ALDH1A1SMN1; SMN2
SCHEMBL26434306 0.72 PNMT (0.49) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL23045154 0.71 PNMT (0.40) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL10609449 0.71 GABRA1 (0.41) NPC1RAB9AMAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182957-B2 Fuel cell, polymer electrolyte and ion-exchange resin for the same HITACHI, LTD. (JP) 2012-05-22 US disclosed
JP-2007207537-A FUEL CELL, POLYMER ELECTROLYTE USED IN FUEL CELL, AND ION EXCHANGE RESIN HITACHI LTD 2007-08-16 JP disclosed
US-20070178348-A1 Fuel cell, polymer electrolyte and ion-exchange resin for the same HITACHI, LTD. (JP) 2007-08-02 US disclosed