SCHEMBL8633703

SCHEMBL8633703

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
GPR55 Q9Y2T6 4/20 0.60
CNR1 P21554 2/20 0.60
CNR2 P34972 2/20 0.60
ALDH1A1 P00352 3/20 0.56
BLM P54132 2/20 0.56
LMNA P02545 1/20 0.48
CCNE2 O96020 3/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
LRRK2 Q5S007 1/20 0.46
F10 P00742 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GYS1 P13807 2/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8627680 0.89 MAPT (0.47) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8631700 0.89 TRPV1 (0.47) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8629857 0.88 LRRK2 (0.48) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8629979 0.87 GYS1 (0.58) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8631356 0.86 GYS1 (0.57) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8635394 0.86 LRRK2 (0.49) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8632688 0.85 GYS1 (0.58) MAPTGPR55CNR1CNR2BLM
SCHEMBL8633593 0.85 MAPT (0.51) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8627994 0.85 LRRK2 (0.46) MAPTGPR55CNR1CNR2ALDH1A1
SCHEMBL8631668 0.85 PTGS2 (0.50) MAPTGPR55CNR1CNR2ALDH1A1

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