SCHEMBL8633742

SCHEMBL8633742

CS(=O)(=O)c1ccc(-n2ncc(-c3ccccc3C(=O)O)c2C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 1/20 0.48
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
PTGS2 P35354 8/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PTGS1 P23219 1/20 0.41
CCR1 P32246 1/20 0.41
HIF1A Q16665 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
SCHEMBL8631118 0.90 MAPT (0.45) POLBMAPTSMN1; SMN2KMT2APTGS2
SCHEMBL8629958 0.89 POLB (0.55) POLBMAPTSMN1; SMN2KMT2AKEAP1
SCHEMBL8630977 0.80 CA1 (0.49) POLBMAPTSMN1; SMN2KMT2APTGS2
SCHEMBL8631115 0.75 KMT2A (0.49) POLBMAPTSMN1; SMN2KMT2AKEAP1
SCHEMBL8633853 0.75 MAPT (0.45) POLBMAPTSMN1; SMN2KMT2APTGS2
SCHEMBL8628053 0.73 KMT2A (0.45) MAPTKMT2APTGS2PTGS1
SCHEMBL595690 0.72 MAPT (1.00) POLBMAPTSMN1; SMN2KMT2AKEAP1
SCHEMBL8634435 0.72 MELK (0.58) PTGS2PTGS1
SCHEMBL8629371 0.72 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL13358957 0.72 CCR1 (0.59) MAPTSMN1; SMN2PTGS2PTGS1CCR1

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