SCHEMBL9515706

SCHEMBL9515706

CCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)CCOCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.43
GABRA5 P31644 1/20 0.41
CXCR2 P25025 2/20 0.37
CXCR1 P25024 1/20 0.37
LMNA P02545 1/20 0.37
PTPN1 P18031 1/20 0.37
HDAC1 Q13547 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
NCOR2 Q9Y618 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
SMPD1 P17405 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGER4 P35408 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9517942 0.89 P4HTM (0.47) P4HTMGABRA5CXCR2CXCR1LMNA
SCHEMBL9519639 0.87 P4HTM (0.47) P4HTMGABRA5CXCR2PTPN1HDAC1
SCHEMBL9517010 0.85 P4HTM (0.47) P4HTMGABRA5CXCR2PTPN1HDAC1
SCHEMBL9515803 0.84 P4HTM (0.49) P4HTMGABRA5CXCR2HDAC1HDAC6
SCHEMBL9517966 0.83 P4HTM (0.45) P4HTMGABRA5CXCR2CXCR1LMNA
SCHEMBL9517881 0.82 GABRA5 (0.53) P4HTMGABRA5PTPN1HDAC1HDAC3
SCHEMBL9516194 0.79 GABRA5 (0.38) P4HTMGABRA5LMNAHDAC6MEN1
SCHEMBL9517133 0.78 GABRA5 (0.42) P4HTMGABRA5LMNAPTPN1
SCHEMBL9518142 0.77 P4HTM (0.47) P4HTMGABRA5CXCR2PTPN1MEN1
SCHEMBL9517019 0.77 GABRA5 (0.40) P4HTMGABRA5HDAC1HDAC6

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