SCHEMBL9018501

SCHEMBL9018501

CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC3CCCCC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
GABRA5 P31644 1/20 0.41
P4HTM Q9NXG6 3/20 0.40
EGFR P00533 2/20 0.40
POLB P06746 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CNR1 P21554 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL9018131 0.91 HPGD (0.41) CXCR1CXCR2P4HTMEGFRLMNA
SCHEMBL9018430 0.90 ACACB (0.40) CXCR1CXCR2P4HTMEGFRLMNA
SCHEMBL9018483 0.90 GABRA5 (0.43) CXCR1CXCR2GABRA5P4HTMEGFR
SCHEMBL9018002 0.90 ALDH1A1 (0.40) CXCR1CXCR2GABRA5P4HTMEGFR
SCHEMBL9018187 0.90 CA2 (0.45) CXCR1CXCR2LMNACYP3A4HTR1A
SCHEMBL9018502 0.89 GABRA5 (0.43) CXCR1CXCR2GABRA5P4HTMEGFR
SCHEMBL9018120 0.89 CA2 (0.45) CXCR1CXCR2P4HTMEGFRLMNA
SCHEMBL9018239 0.89 ALDH1A1 (0.40) CXCR1CXCR2GABRA5P4HTMEGFR
SCHEMBL9018020 0.88 HPGD (0.43) LMNAMAPTSMN1; SMN2
SCHEMBL9018083 0.88 SCN3A (0.46) P4HTMDGAT2OPRM1OPRK1LMNA

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