SCHEMBL7862789

SCHEMBL7862789

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CXCR1 P25024 5/20 0.41
CXCR2 P25025 5/20 0.41
EPHX2 P34913 2/20 0.39
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
HTR7 P34969 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
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
SCHEMBL7874627 0.91 GABRA5 (0.43) GABRA5RAB9AALDH1A1CXCR1CXCR2
SCHEMBL7862809 0.90 GABRA5 (0.43) GABRA5RAB9APOLBCYP2C9CYP2C19
SCHEMBL7871626 0.90 GABRA5 (0.46) GABRA5CXCR1CXCR2EPHX2CYP2C9
SCHEMBL9018098 0.87 CXCR1 (0.44) GABRA5RAB9AALDH1A1CXCR1CXCR2
SCHEMBL8869212 0.85 RAB9A (0.48) GABRA5RAB9AALDH1A1POLBCYP2C9
SCHEMBL7871752 0.84 CXCR1 (0.39) GABRA5RAB9AALDH1A1CXCR1CXCR2
SCHEMBL7862742 0.84 KMT2A (0.51) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL9574736 0.83 GABRA5 (0.50) GABRA5ALDH1A1MEN1KMT2A
SCHEMBL9018431 0.83 CXCR2 (0.47) GABRA5RAB9AALDH1A1CXCR1CXCR2
SCHEMBL9018316 0.82 CXCR1 (0.45) GABRA5RAB9AALDH1A1CXCR1CXCR2

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