SCHEMBL8634599

SCHEMBL8634599

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.46
MAPT P10636 5/20 0.46
GPR55 Q9Y2T6 3/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 1/20 0.46
NR2F2 P24468 1/20 0.46
KMT2A Q03164 1/20 0.46
GYS1 P13807 7/20 0.43
ALDH1A1 P00352 2/20 0.40
BLM P54132 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 2/20 0.39
ALOX5AP P20292 1/20 0.39
PTGS1 P23219 1/20 0.38

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
SCHEMBL8627701 0.92 GYS1 (0.46) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629229 0.89 MAPT (0.49) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629857 0.88 LRRK2 (0.48) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8630890 0.87 LRRK2 (0.48) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629287 0.86 MAPT (0.46) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8630119 0.85 MAPT (0.45) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629979 0.85 GYS1 (0.58) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8631573 0.85 GYS1 (0.60) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8631356 0.84 GYS1 (0.57) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8635394 0.84 LRRK2 (0.49) LRRK2MAPTGPR55CNR1CNR2

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