SCHEMBL8627680

SCHEMBL8627680

CCOc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
GPR55 Q9Y2T6 6/20 0.47
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
BLM P54132 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
ALOX5AP P20292 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LRRK2 Q5S007 1/20 0.45
LMNA P02545 1/20 0.44
GYS1 P13807 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR2F2 P24468 1/20 0.44
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL8633703 0.89 MAPT (0.60) MAPTGPR55CNR1CNR2BLM
SCHEMBL8631700 0.87 TRPV1 (0.47) MAPTGPR55CNR1CNR2BLM
SCHEMBL8629857 0.86 LRRK2 (0.48) MAPTGPR55CNR1CNR2BLM
SCHEMBL8629979 0.85 GYS1 (0.58) MAPTGPR55CNR1CNR2BLM
SCHEMBL8631356 0.85 GYS1 (0.57) MAPTGPR55CNR1CNR2BLM
SCHEMBL8635394 0.85 LRRK2 (0.49) MAPTGPR55CNR1CNR2BLM
SCHEMBL8633593 0.84 MAPT (0.51) MAPTGPR55CNR1CNR2BLM
SCHEMBL8632688 0.84 GYS1 (0.58) MAPTGPR55CNR1CNR2BLM
SCHEMBL8627994 0.83 LRRK2 (0.46) MAPTGPR55CNR1CNR2BLM
SCHEMBL7777501 0.83 LRRK2 (0.55) MAPTGPR55CNR1CNR2BLM

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed