SCHEMBL8635394

SCHEMBL8635394

Nc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.49
GYS1 P13807 8/20 0.49
MAPT P10636 5/20 0.49
GPR55 Q9Y2T6 4/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
MEN1 O00255 1/20 0.49
NR2F2 P24468 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
ALOX5AP P20292 4/20 0.41
FEN1 P39748 3/20 0.40
BLM P54132 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL8629979 0.91 GYS1 (0.58) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8631356 0.91 GYS1 (0.57) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8632688 0.89 GYS1 (0.58) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8633593 0.89 MAPT (0.51) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8629857 0.89 LRRK2 (0.48) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8628834 0.88 LRRK2 (0.60) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8633703 0.86 MAPT (0.60) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8627994 0.86 LRRK2 (0.46) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8631700 0.86 TRPV1 (0.47) LRRK2GYS1MAPTGPR55CNR1
SCHEMBL8627680 0.85 MAPT (0.47) LRRK2GYS1MAPTGPR55CNR1

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