SCHEMBL11488482

SCHEMBL11488482

Cc1ccc(N2C=NC(=O)C2)cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.40
▸ PTGS1 P23219 10/20 0.40
▸ BRD4 O60885 4/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL11380592 0.78 LMNA (0.47) PTGS2PTGS1BRD4JAK2GHSR
SCHEMBL11376209 0.77 LMNA (0.46) PTGS2PTGS1BRD4JAK2GHSR
SCHEMBL11378345 0.77 LMNA (0.46) PTGS2PTGS1BRD4JAK2GHSR
SCHEMBL11182644 0.76 PTGS1 (0.41) PTGS2PTGS1CA2CA1
SCHEMBL11467996 0.75 KMT2A (0.44) PTGS2PTGS1BRD4
SCHEMBL11191391 0.73 KMT2A (0.53) GHSR
SCHEMBL11459823 0.72 KMT2A (0.49) —
SCHEMBL26418314 0.64 MAPT (0.43) PTGS2PTGS1CA2CA1
SCHEMBL11489234 0.64 HTR7 (0.34) PTGS2PTGS1BRD4CA2CA1
SCHEMBL122373 0.63 MAPK1 (0.66) PTGS2PTGS1

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
EP-0011693-A1 N-trifluoromethane-sulfonylaminophenyl-substituted N-heterocycles, their preparation, compositions containing them and their use in regulating plant growth CIBA-GEIGY AG (CH) 1980-06-11 — — EP disclosed
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