SCHEMBL8423199

SCHEMBL8423199

CCCCOc1nc(-c2ccc(F)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1CNC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
PTGS1 P23219 7/20 0.48
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 1/20 0.43
CA7 P43166 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SQOR Q9Y6N5 2/20 0.40
CHRNA7 P36544 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8421109 0.89 PTGS2 (0.55) PTGS2PTGS1CA12CA1CA2
SCHEMBL8423262 0.86 PTGS2 (0.50) PTGS2PTGS1CA12CA1CA2
SCHEMBL8423196 0.86 SGK1 (0.42) PTGS2PTGS1CA9MEN1KMT2A
SCHEMBL8086783 0.82 PTGS2 (0.67) PTGS2PTGS1CA12CA1CA2
SCHEMBL8423058 0.80 PTGS2 (0.50) PTGS2PTGS1CA12CA1CA2
SCHEMBL8419909 0.80 PTGS2 (0.46) PTGS2PTGS1CA12CA1CA2
SCHEMBL8421302 0.77 PTGS2 (0.44) PTGS2PTGS1CA12CA1CA2
SCHEMBL8424482 0.77 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL8419785 0.76 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8423389 0.76 PTGS2 (0.46) PTGS2PTGS1CA12CA1CA2

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-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed