SCHEMBL9018316

SCHEMBL9018316

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCOc2ccc(F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 7/20 0.45
CXCR2 P25025 7/20 0.45
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
GABRA5 P31644 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2J2 P51589 1/20 0.36

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
SCHEMBL9018098 0.92 CXCR1 (0.44) CXCR1CXCR2ALDH1A1RAB9AGABRA5
SCHEMBL9017990 0.90 GABRA5 (0.43) CXCR1CXCR2RAB9AGABRA5SMN1; SMN2
SCHEMBL9018094 0.88 CXCR1 (0.43) CXCR1CXCR2GABRA5EPHX2
SCHEMBL9018431 0.87 CXCR2 (0.47) CXCR1CXCR2ALDH1A1RAB9AGABRA5
SCHEMBL9137956 0.85 P4HTM (0.43) CXCR1CXCR2ALDH1A1RAB9APOLB
SCHEMBL8869725 0.82 P4HTM (0.39) CXCR1CXCR2ALDH1A1RAB9APOLB
SCHEMBL7862789 0.82 GABRA5 (0.45) CXCR1CXCR2ALDH1A1RAB9AGABRA5
SCHEMBL9018441 0.82 GABRA5 (0.52) GABRA5CYP2C9CYP2C19
SCHEMBL9018289 0.82 P4HTM (0.46) CXCR1CXCR2RAB9AGABRA5SMN1; SMN2
SCHEMBL9018172 0.82 MMP8 (0.47) ALDH1A1RAB9A

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