SCHEMBL18274760

SCHEMBL18274760

O=C(NS(=O)(=O)c1ccc(OCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3cc(Cl)c(C(F)(F)F)cc3-c3ccccc3)CC2)cc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 3/20 0.67
▸ ADRA1D P25100 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ TMEM97 Q5BJF2 1/20 0.59

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
SCHEMBL1957716 0.89 BCL2 (0.74) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL2505525 0.86 BCL2 (0.72) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL18274748 0.84 BCL2 (0.69) BCL2
SCHEMBL1955358 0.81 BCL2 (0.86) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL30467960 0.80 BCL2 (1.00) BCL2
SCHEMBL1810749 0.80 BCL2 (1.00) BCL2
SCHEMBL1955269 0.80 BCL2 (0.87) BCL2
SCHEMBL19419660 0.78 BCL2 (0.72) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL2505947 0.78 BCL2 (0.85) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL1955256 0.77 BCL2 (0.74) BCL2ADRA1DDRD3SLC6A3TMEM97

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-3101019-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES AbbVie Inc. (US) 2016-12-07 — — EP disclosed
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