SCHEMBL9517015

SCHEMBL9517015

O=C(NC(=O)c1ccc(CO)nc1)Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.51
CXCR2 P25025 12/20 0.48
CXCR1 P25024 9/20 0.47
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9566833 0.89 P4HTM (0.63) P4HTMCXCR2CXCR1PTPN1PTPN6
SCHEMBL9519528 0.86 RAB9A (0.58) P4HTMCXCR2CXCR1ALDH1A1KMT2A
SCHEMBL9515480 0.85 CXCR2 (0.52) P4HTMCXCR2CXCR1ALDH1A1KMT2A
SCHEMBL9519474 0.83 CXCR2 (0.50) P4HTMCXCR2CXCR1ALDH1A1KMT2A
SCHEMBL9566852 0.82 P4HTM (0.55) P4HTMCXCR2CXCR1PTPN1PTPN6
SCHEMBL9519589 0.81 CXCR2 (0.54) P4HTMCXCR2CXCR1KMT2AMEN1
SCHEMBL9519350 0.76 CXCR2 (0.43) P4HTMCXCR2CXCR1KMT2AMEN1
SCHEMBL12444447 0.76 L3MBTL1 (0.57) ALDH1A1KMT2ACYP3A4MEN1
SCHEMBL9517022 0.75
SCHEMBL9566835 0.75 P4HTM (0.63) P4HTMALDH1A1KMT2AKCNQ3KCNQ2

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
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed