SCHEMBL7869459

SCHEMBL7869459

COCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.52
BCL2L1 Q07817 7/20 0.52
P4HTM Q9NXG6 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
EGFR P00533 1/20 0.43
TARS1 P26639 1/20 0.42

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
SCHEMBL7871609 0.92 P4HTM (0.55) MCL1BCL2L1P4HTMEGFR
SCHEMBL7871544 0.92 MCL1 (0.49) MCL1BCL2L1P4HTMOPRM1OPRD1
SCHEMBL7867912 0.88 EGFR (0.47) P4HTMEGFR
SCHEMBL7862839 0.87 SMN1; SMN2 (0.48) P4HTMMMP2
SCHEMBL7871663 0.87 EPHX2 (0.49) P4HTMOPRM1OPRD1OPRK1
SCHEMBL9574735 0.87 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19
SCHEMBL7870523 0.86 MEN1 (0.47) MCL1BCL2L1P4HTMOPRM1OPRD1
SCHEMBL7870440 0.86 PTPN1 (0.49) MCL1BCL2L1CYP1A2CYP2C9CYP2C19
SCHEMBL9574724 0.86 PGR (0.50) MCL1CYP1A2CYP2C9CYP2C19
SCHEMBL7874583 0.85 NPC1 (0.45) P4HTMOPRM1OPRD1OPRK1

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
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed