SCHEMBL8869092

SCHEMBL8869092

O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)NCCO)nc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.59
BCL2L1 Q07817 10/20 0.58
MCL1 Q07820 10/20 0.58
EGFR P00533 2/20 0.47
MMP2 P08253 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46

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
SCHEMBL8870069 0.91 P4HTM (0.57) P4HTMBCL2L1MCL1EGFR
SCHEMBL8867590 0.90 P4HTM (0.72) P4HTMEGFR
SCHEMBL8869710 0.89 P4HTM (0.56) P4HTMBCL2L1MCL1EGFR
SCHEMBL8868775 0.88 P4HTM (0.53) P4HTMBCL2L1MCL1
SCHEMBL8868876 0.87 P4HTM (0.72) P4HTMEGFRMMP2CA1CA2
SCHEMBL8868123 0.87 BCL2L1 (0.49) P4HTMBCL2L1MCL1MMP2MMP13
SCHEMBL8870946 0.85 ALDH1A1 (0.55) P4HTM
SCHEMBL8870133 0.84 P4HTM (0.56) P4HTMBCL2L1MCL1EGFRMMP2
SCHEMBL8867851 0.84 P4HTM (0.53) P4HTMEGFRMMP2MMP13MMP14
SCHEMBL8869095 0.84 ALKBH2 (0.57) BCL2L1MCL1MMP2CA12CA1

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed