SCHEMBL8640576

SCHEMBL8640576

O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
PTGS1 P23219 3/20 0.52
PDPK1 O15530 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
POLB P06746 1/20 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
SCHEMBL8640765 0.89 PTGS1 (0.51) PTGS2PTGS1PDPK1ALDH1A1FFAR4
SCHEMBL8636828 0.87 PDPK1 (0.61) PTGS2PTGS1PDPK1CA12CA2
SCHEMBL8637656 0.87 PTGS2 (0.48) PTGS2PTGS1PDPK1CA12CA2
SCHEMBL8351386 0.87 PTGS2 (0.49) PTGS2PTGS1PDPK1SMN1; SMN2MAPT
SCHEMBL8641577 0.87 PTGS2 (0.49) PTGS2PTGS1PDPK1MEN1KMT2A
SCHEMBL8638817 0.86 PTGS2 (0.46) PTGS2PTGS1PDPK1SMN1; SMN2MAPT
SCHEMBL8421755 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL8639795 0.86 PTGS2 (0.50) PTGS2PTGS1PDPK1
SCHEMBL6514097 0.86 PTGS2 (0.50) PTGS2PTGS1PDPK1MEN1KMT2A
SCHEMBL8643571 0.86 PTGS2 (0.51) PTGS2PTGS1PDPK1FFAR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed