SCHEMBL8630890

SCHEMBL8630890

Cc1cccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.48
MAPT P10636 5/20 0.48
GPR55 Q9Y2T6 3/20 0.48
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
MEN1 O00255 1/20 0.48
NR2F2 P24468 1/20 0.48
KMT2A Q03164 1/20 0.48
GYS1 P13807 5/20 0.46
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP1 P22413 1/20 0.38
BLM P54132 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
SCHEMBL8634944 0.88 LRRK2 (0.49) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629857 0.88 LRRK2 (0.48) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629979 0.87 GYS1 (0.58) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8634849 0.87 LRRK2 (0.48) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8634599 0.87 LRRK2 (0.46) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8627701 0.85 GYS1 (0.46) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8633926 0.85 MAPT (0.46) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8630119 0.83 MAPT (0.45) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8631573 0.83 GYS1 (0.60) LRRK2MAPTGPR55CNR1CNR2
SCHEMBL8629229 0.83 MAPT (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