SCHEMBL8868451

SCHEMBL8868451

O=C(CNC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccc(F)cc2)cn1)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
EGLN1 Q9GZT9 1/20 0.42
PRKAA2 P54646 11/20 0.42
HDAC6 Q9UBN7 1/20 0.41
P4HTM Q9NXG6 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8869383 0.84 P4HTM (0.46) EGLN1PRKAA2P4HTMALDH1A1RAB9A
SCHEMBL8869722 0.84 CXCR1 (0.44) CXCR1CXCR2PRKAA2P4HTMALDH1A1
SCHEMBL8869725 0.83 P4HTM (0.39) CXCR1CXCR2EGLN1PRKAA2P4HTM
SCHEMBL8870011 0.81 PRKAA2 (0.45) PRKAA2P4HTMALDH1A1KDM4EPOLB
SCHEMBL8867749 0.81 P4HTM (0.48) CXCR1CXCR2PRKAA2P4HTMALDH1A1
SCHEMBL8869212 0.80 RAB9A (0.48) PRKAA2P4HTMALDH1A1KDM4EPOLB
SCHEMBL9143213 0.77 MAPK1 (0.48) CXCR1CXCR2PRKAA2P4HTMALDH1A1
SCHEMBL8867850 0.76 P4HTM (0.54) EGLN1P4HTMALDH1A1KDM4ERAB9A
SCHEMBL9137956 0.75 P4HTM (0.43) CXCR1CXCR2PRKAA2P4HTMALDH1A1
SCHEMBL9144590 0.75 P4HTM (0.43) CXCR1CXCR2P4HTMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed