SCHEMBL8869722

SCHEMBL8869722

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 1/20 0.41
P4HTM Q9NXG6 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MMP1 P03956 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PRKAA2 P54646 1/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9137949 0.89 CXCR1 (0.45) CXCR1CXCR2POLBP4HTMRAB9A
SCHEMBL8869725 0.88 P4HTM (0.39) CXCR1CXCR2POLBKMT2AP4HTM
SCHEMBL8867749 0.88 P4HTM (0.48) CXCR1CXCR2KMT2AP4HTMSMN1; SMN2
SCHEMBL8869383 0.88 P4HTM (0.46) P4HTMRAB9AALDH1A1PRKAA2
SCHEMBL8869212 0.85 RAB9A (0.48) POLBKMT2AP4HTMRAB9ANPC1
SCHEMBL8870011 0.84 PRKAA2 (0.45) POLBKMT2AP4HTMRAB9AALDH1A1
SCHEMBL8868451 0.84 CXCR1 (0.46) CXCR1CXCR2POLBP4HTMRAB9A
SCHEMBL8867821 0.84 CXCR1 (0.40) CXCR1CXCR2POLBKMT2AP4HTM
SCHEMBL8870177 0.84 KMT2A (0.46) POLBKMT2AP4HTMRAB9ANPC1
SCHEMBL8869086 0.84 P4HTM (0.45) POLBP4HTMMMP1PLK1

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