SCHEMBL9018098

SCHEMBL9018098

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCOc2ccc(F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 6/20 0.44
CXCR2 P25025 6/20 0.44
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 2/20 0.40
EPHX2 P34913 2/20 0.39
GABRA5 P31644 4/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9018316 0.92 CXCR1 (0.45) CXCR1CXCR2ALDH1A1RAB9AEPHX2
SCHEMBL9018431 0.91 CXCR2 (0.47) CXCR1CXCR2ALDH1A1RAB9AHTR7
SCHEMBL9018289 0.89 P4HTM (0.46) CXCR1CXCR2RAB9AEPHX2GABRA5
SCHEMBL9018418 0.87 CXCR2 (0.46) CXCR1CXCR2HTR7EPHX2GABRA5
SCHEMBL7862789 0.87 GABRA5 (0.45) CXCR1CXCR2ALDH1A1RAB9AHTR7
SCHEMBL7871752 0.84 CXCR1 (0.39) CXCR1CXCR2ALDH1A1RAB9AEPHX2
SCHEMBL7874627 0.84 GABRA5 (0.43) CXCR1CXCR2ALDH1A1RAB9AEPHX2
SCHEMBL9143213 0.83 MAPK1 (0.48) CXCR1CXCR2ALDH1A1RAB9A
SCHEMBL9017990 0.82 GABRA5 (0.43) CXCR1CXCR2RAB9AGABRA5SMN1; SMN2
SCHEMBL9018493 0.81 MMP8 (0.49) ALDH1A1RAB9AGABRA5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed