SCHEMBL8423262

SCHEMBL8423262

CCCCOc1nc(-c2ccc(F)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.50
PTGS1 P23219 7/20 0.50
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA14 Q9ULX7 1/20 0.39
IKBKB O14920 1/20 0.39
CHRNA7 P36544 2/20 0.39
SQOR Q9Y6N5 1/20 0.38

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) PTGS2PTGS1CA1CA2CA7
SCHEMBL8423199 0.86 PTGS2 (0.48) PTGS2PTGS1CA1CA2CA7
SCHEMBL8423260 0.86 SGK1 (0.42) PTGS2PTGS1CA9MEN1KMT2A
SCHEMBL8099213 0.82 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA7
SCHEMBL8423058 0.80 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA7
SCHEMBL8419909 0.80 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA7
SCHEMBL8421302 0.77 PTGS2 (0.44) PTGS2PTGS1CA1CA2CA7
SCHEMBL8424482 0.77 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL8419785 0.76 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8423389 0.76 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA7

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