SCHEMBL8630977

SCHEMBL8630977

NC(=O)c1ccccc1-c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
CA4 P22748 6/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 8/20 0.46
PTGS1 P23219 7/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
LOX P28300 1/20 0.43

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
SCHEMBL8629958 0.91 POLB (0.55) CA1CA2CA9CA4POLB
SCHEMBL8631118 0.90 MAPT (0.45) CA1CA2CA9CA4POLB
SCHEMBL8633742 0.80 POLB (0.55) POLBMAPTSMN1; SMN2PTGS2PTGS1
SCHEMBL8638171 0.78 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL10364977 0.73 MAPT (0.78) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8630975 0.72 PTGS2 (0.59) CA1CA2CA9CA4POLB
SCHEMBL8632975 0.72 CA1 (0.56) CA1CA2CA9CA4POLB
SCHEMBL8635614 0.72 CA1 (0.57) CA1CA2CA9CA4PTGS2
SCHEMBL8688809 0.70 PTGS2 (0.67) CA1CA2CA9PTGS2PTGS1
SCHEMBL25298739 0.70 CCR1 (0.49) MAPT

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