SCHEMBL7874627

SCHEMBL7874627

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.43
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CXCR1 P25024 5/20 0.39
CXCR2 P25025 5/20 0.39
EPHX2 P34913 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
FAAH O00519 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7862789 0.91 GABRA5 (0.45) GABRA5ALDH1A1RAB9ACXCR1CXCR2
SCHEMBL7869443 0.90 P4HTM (0.43) GABRA5RAB9ACXCR1CXCR2EPHX2
SCHEMBL8870011 0.86 PRKAA2 (0.45) GABRA5ALDH1A1RAB9AEPHX2CYP2C9
SCHEMBL7871752 0.85 CXCR1 (0.39) GABRA5ALDH1A1RAB9ACXCR1CXCR2
SCHEMBL9018098 0.84 CXCR1 (0.44) GABRA5ALDH1A1RAB9ACXCR1CXCR2
SCHEMBL9018431 0.82 CXCR2 (0.47) GABRA5ALDH1A1RAB9ACXCR1CXCR2
SCHEMBL7862809 0.82 GABRA5 (0.43) GABRA5RAB9ACYP2C9CYP2C19POLB
SCHEMBL9574661 0.81 GABRA5 (0.51) GABRA5ALDH1A1
SCHEMBL7871626 0.81 GABRA5 (0.46) GABRA5CXCR1CXCR2EPHX2CYP2C9
SCHEMBL9018316 0.81 CXCR1 (0.45) GABRA5ALDH1A1RAB9ACXCR1CXCR2

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-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed