SCHEMBL8634282

SCHEMBL8634282

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCCO)c2C(F)(F)F)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.38
EDNRB P24530 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ACLY P53396 3/20 0.36
PPARA Q07869 1/20 0.36
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
BRPF3 Q9ULD4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8630945 0.92 PPARA (0.39) EDNRAEDNRBPTGS1PTGS2ACLY
SCHEMBL8629955 0.89 MAPT (0.46) MAPTMEN1KMT2APTGS1PTGS2
SCHEMBL8628055 0.88 MAPT (0.40) MAPTMEN1KMT2APTGS1PTGS2
SCHEMBL8631961 0.87 PTGS2 (0.38) EDNRAEDNRBMAPTMEN1KMT2A
SCHEMBL8630041 0.87 CCR4 (0.40) MAPTMEN1KMT2APTGS1PTGS2
SCHEMBL8631658 0.87 EDNRB (0.42) EDNRAEDNRBMAPTMEN1KMT2A
SCHEMBL8633251 0.86 EDNRA (0.41) EDNRAEDNRBMAPTMEN1KMT2A
SCHEMBL8634385 0.86 ACLY (0.42) MAPTMEN1KMT2APTGS1PTGS2
SCHEMBL8627950 0.85 MAPT (0.38) MAPTMEN1KMT2APTGS1PTGS2
SCHEMBL8631638 0.84 EDNRB (0.47) EDNRAEDNRBMAPTMEN1KMT2A

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