SCHEMBL7871544

SCHEMBL7871544

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.49
BCL2L1 Q07817 8/20 0.49
P4HTM Q9NXG6 4/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
ADAMTS4 O75173 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL7869459 0.92 MCL1 (0.52) MCL1BCL2L1P4HTMOPRM1OPRD1
SCHEMBL7862722 0.91 NPC1 (0.51) MCL1BCL2L1P4HTM
SCHEMBL7867703 0.89 EGFR (0.45) P4HTM
SCHEMBL7862692 0.87 EGFR (0.43) P4HTMOPRM1OPRD1OPRK1
SCHEMBL7862823 0.87 MCL1 (0.48) MCL1BCL2L1
SCHEMBL9574842 0.86 EGFR (0.43) P4HTM
SCHEMBL8868775 0.86 P4HTM (0.53) MCL1BCL2L1P4HTM
SCHEMBL7869460 0.86 EGFR (0.43) P4HTM
SCHEMBL7871550 0.86 NPC1 (0.43) P4HTMOPRM1OPRD1OPRK1
SCHEMBL9574776 0.85 ALDH1A1 (0.44) 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 1 patent. 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