SCHEMBL17613334

SCHEMBL17613334

Cc1nn(C)c(Cl)c1[S+]([O-])Nc1ccc(-c2cc(C(=O)O)ccc2F)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.35
▸ PTGFR P43088 3/20 0.35
▸ RORC P51449 8/20 0.34
▸ ACLY P53396 1/20 0.34
▸ EP300 Q09472 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PTGER1 P34995 1/20 0.32
▸ PTK2B Q14289 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGER4 P35408 1/20 0.32

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
SCHEMBL17613380 0.82 PTGER1 (0.37) TTRPTGFRRORCEP300CREBBP
SCHEMBL17599305 0.79 ACLY (0.55) ACLYPTK2BSMN1; SMN2
SCHEMBL17599385 0.74 TSHR (0.47) TTRACLYPTK2BSMN1; SMN2
SCHEMBL17599320 0.68 SMN1; SMN2 (0.54) ACLYPTK2BSMN1; SMN2
SCHEMBL17613384 0.67 NR1H4 (0.45) PTK2BSMN1; SMN2
SCHEMBL17599341 0.67 FABP4 (0.43) PTGFRACLYPTK2BSMN1; SMN2
SCHEMBL17599333 0.66 PTK2B (0.52) ACLYPTK2BSMN1; SMN2
SCHEMBL17613344 0.66 FABP4 (0.41) PTGER4
SCHEMBL17599338 0.66 FABP4 (0.42) ACLYPTK2BSMN1; SMN2
SCHEMBL17613338 0.66 NR1H4 (0.41) PTGER1

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-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
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