SCHEMBL8633853

SCHEMBL8633853

CS(=O)(=O)c1ccc(-n2ncc(OC(=O)c3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS2 P35354 6/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL8632975 0.89 CA1 (0.56) MAPTPOLBSMN1; SMN2PTGS2CA1
SCHEMBL8631115 0.78 KMT2A (0.49) MAPTPOLBSMN1; SMN2PTGS2KMT2A
SCHEMBL2859374 0.76 MAPT (0.52) MAPTSMN1; SMN2PTGS2CA1CA2
SCHEMBL2862974 0.76 KEAP1 (0.50) MAPTPOLBSMN1; SMN2PTGS2KMT2A
SCHEMBL8633742 0.75 POLB (0.55) MAPTPOLBSMN1; SMN2PTGS2KMT2A
SCHEMBL28189224 0.73 MAPT (0.59) MAPTPOLBSMN1; SMN2KMT2ATDP1
SCHEMBL2853595 0.72 LMNA (0.44) MAPTSMN1; SMN2PTGS2KDM4ELMNA
SCHEMBL2856385 0.72 CCR1 (0.44) PTGS2CA1CA2CA4LMNA
SCHEMBL8631118 0.72 MAPT (0.45) MAPTPOLBSMN1; SMN2PTGS2KMT2A
SCHEMBL2855798 0.72 MAPT (0.45) MAPTSMN1; SMN2PTGS2KMT2ACA1

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