SCHEMBL3446335

SCHEMBL3446335

O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1F)c1cccc(-c2ccc(Cl)cc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
PTGS1 P23219 3/20 0.46
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
NAT1 P18440 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR4A2 P43354 1/20 0.36
ACLY P53396 1/20 0.36
GRM5 P41594 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AR P10275 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
SCHEMBL4127355 0.83 KAT6A (0.44) PTGS2PTGS1ALDH1A1CYP3A4CYP2C9
SCHEMBL250146 0.81 PTGS2 (0.56) PTGS2PTGS1ALDH1A1KDM4ERAB9A
SCHEMBL9756795 0.79 PTGS2 (0.46) PTGS2PTGS1ALDH1A1KDM4ERAB9A
SCHEMBL610509 0.78 CRHR1 (0.42) ALDH1A1KDM4ECYP3A4MAPTCYP2C9
SCHEMBL3446117 0.75 GRM5 (0.47) ALDH1A1RAB9ACYP3A4MAPK1CYP2C9
SCHEMBL3420592 0.75 HSD11B1 (0.52) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
Methane SCHEMBL27673420 0.73 CYP11B1 (0.44) PTGS2PTGS1RAB9ASUCNR1CYP3A4
SCHEMBL2360182 0.73 ERN1 (0.44) PTGS2PTGS1ALDH1A1KDM4ESUCNR1
SCHEMBL4202592 0.72 PTGS2 (0.55) PTGS2PTGS1ALDH1A1KDM4ERAB9A
SCHEMBL2360181 0.71 PTGS2 (0.39) PTGS2PTGS1RAB9ASUCNR1MAPT

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
US-7816053-B2 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2010-10-19 US disclosed
US-20060280991-A1 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. 2006-12-14 US disclosed