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SCHEMBL8635624

SCHEMBL8635624

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCc3ccccc3)c2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.45
▸ PTGS1 P23219 7/20 0.45
▸ PI4KB Q9UBF8 4/20 0.40
▸ P2RX3 P56373 3/20 0.39
▸ F10 P00742 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 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
SCHEMBL8630401 0.92 PTGS2 (0.47) PTGS2PTGS1PI4KBF10PDE4A
SCHEMBL8632921 0.89 PTGS2 (0.46) PTGS2PTGS1PI4KBP2RX3F10
SCHEMBL8632811 0.89 PTGS2 (0.43) PTGS2PTGS1PI4KBP2RX3F10
SCHEMBL8634717 0.88 PTGS2 (0.43) PTGS2PTGS1PI4KBP2RX3F10
SCHEMBL8630470 0.88 PTGS2 (0.49) PTGS2PTGS1F10
SCHEMBL7772894 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8631053 0.88 PTGS2 (0.44) PTGS2PTGS1PI4KBP2RX3F10
SCHEMBL8631466 0.88 PTGS2 (0.42) PTGS2PTGS1PI4KBP2RX3F10
SCHEMBL8629941 0.85 PTGS2 (0.46) PTGS2PTGS1F10
SCHEMBL8630564 0.83 PTGS2 (0.45) PTGS2PTGS1PI4KBF10PDE4A

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