SCHEMBL9516980

SCHEMBL9516980

CCCCCCCCOc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
ADAMTS4 O75173 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G4B P0C869 1/20 0.46
EGFR P00533 1/20 0.45
RARB P10826 3/20 0.44

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
SCHEMBL9519606 1.00 BCL2L1 (0.50) BCL2L1MCL1P4HTMADAMTS4MMP1
SCHEMBL9516188 1.00 BCL2L1 (0.50) BCL2L1MCL1P4HTMADAMTS4MMP1
SCHEMBL9519133 0.99 BCL2L1 (0.51) BCL2L1MCL1P4HTMADAMTS4MMP1
SCHEMBL9515565 0.97 BCL2L1 (0.53) BCL2L1MCL1P4HTMADAMTS4MMP1
SCHEMBL9517152 0.92 BCL2L1 (0.48) BCL2L1MCL1P4HTMADAMTS4MMP1
SCHEMBL9518008 0.88 P4HTM (0.54) BCL2L1MCL1P4HTMMAPTSMN1; SMN2
SCHEMBL9517947 0.86 NPC1 (0.56) BCL2L1MCL1TP53NPC1MAPT
SCHEMBL9516161 0.86 P4HTM (0.53) BCL2L1MCL1P4HTMADAMTS4MMP1
SCHEMBL9517238 0.86 P4HTM (0.55) BCL2L1MCL1P4HTMEGFR
SCHEMBL9519322 0.85 CA2 (0.56) P4HTMNPC1RXFP1TSHRMAPT

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
CN-1079466-A 4-or 5-(sulphur) acylimino-and (inferior sulphur) amidopyridine and pyridine-N-oxide thereof HOECHST AG (DE) 1993-12-15 CN disclosed
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