SCHEMBL2481472

SCHEMBL2481472

O=C(NS(=O)(=O)c1ccc(NC2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 1/20 0.49
▸ BCL2 P10415 11/20 0.49

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
SCHEMBL30314086 0.87 BCL2 (0.64) BCL2
SCHEMBL1958805 0.82 BCL2 (0.62) BCL2
SCHEMBL2775444 0.80 BCL2 (0.60) BCL2
SCHEMBL28102788 0.80 MAPK1 (0.44) ALDH3A1BCL2
SCHEMBL2776802 0.78 BCL2 (0.61) BCL2
SCHEMBL29796315 0.78 BCL2 (0.64) BCL2
SCHEMBL3398579 0.77 BCL2 (0.53) BCL2
SCHEMBL1956566 0.77 BCL2 (0.56) BCL2
SCHEMBL1955838 0.76 BCL2 (0.68) BCL2
SCHEMBL1957963 0.76 BCL2 (0.60) BCL2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP claimed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO claimed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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