SCHEMBL8633926

SCHEMBL8633926

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GPR55 Q9Y2T6 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
NR2F2 P24468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
GYS1 P13807 3/20 0.41
LRRK2 Q5S007 4/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GPR3 P46089 1/20 0.38
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
PLA2G1B P04054 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL8629939 0.90 MAPT (0.47) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8630119 0.90 MAPT (0.45) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8629857 0.85 LRRK2 (0.48) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8630890 0.85 LRRK2 (0.48) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8634599 0.83 LRRK2 (0.46) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL7780581 0.81 LRRK2 (0.52) MAPTGPR55CNR1CNR2LMNA
SCHEMBL8627701 0.81 GYS1 (0.46) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8635288 0.81 MAPT (0.42) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8629098 0.80 ALOX5AP (0.45) MAPTGPR55MEN1KMT2ACNR1
SCHEMBL8629979 0.80 GYS1 (0.58) MAPTGPR55MEN1KMT2ACNR1

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