SCHEMBL29131195

SCHEMBL29131195

CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(C(F)(F)F)cc5)CC(C)(C)CC4)CC3)cc2Oc2cnc3[nH]ccc3c2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 1.00
▸ BCL2L1 Q07817 12/20 1.00
▸ HDAC1 Q13547 3/20 0.76
▸ HDAC6 Q9UBN7 3/20 0.76

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
SCHEMBL29131218 0.97 BCL2 (0.95) BCL2BCL2L1HDAC1HDAC6
SCHEMBL29131191 0.95 BCL2 (1.00) BCL2BCL2L1HDAC1HDAC6
SCHEMBL29131199 0.94 BCL2 (0.95) BCL2BCL2L1HDAC1HDAC6
SCHEMBL29131196 0.93 BCL2 (0.86) BCL2BCL2L1
SCHEMBL29131194 0.91 BCL2 (0.90) BCL2BCL2L1
SCHEMBL29463355 0.90 BCL2 (0.82) BCL2BCL2L1HDAC1HDAC6
SCHEMBL30682039 0.90 BCL2 (0.82) BCL2BCL2L1
SCHEMBL21412871 0.90 BCL2 (0.82) BCL2BCL2L1
SCHEMBL21412867 0.90 BCL2 (0.82) BCL2BCL2L1
SCHEMBL29131188 0.90 BCL2 (1.00) BCL2BCL2L1

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
CN-114369094-B Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors 正大天晴药业集团股份有限公司 2023-09-29 — — CN disclosed
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