SCHEMBL30468002

SCHEMBL30468002

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 7/20 1.00
▸ NSD2 O96028 1/20 0.86
▸ ADORA3 P0DMS8 1/20 0.86
▸ CYP2C9 P11712 1/20 0.86
▸ ADRA2C P18825 1/20 0.86
▸ SLC6A2 P23975 1/20 0.86
▸ BID P55957 1/20 0.86
▸ SLC6A3 Q01959 1/20 0.86
▸ BCL2L1 Q07817 1/20 0.86
▸ MCL1 Q07820 1/20 0.86
▸ ASPH Q12797 1/20 0.86
▸ BCL2L2 Q92843 1/20 0.86
▸ BAD Q92934 1/20 0.86
▸ NSD1 Q96L73 1/20 0.86
▸ NSD3 Q9BZ95 1/20 0.86

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
SCHEMBL1702539 1.00 BCL2 (1.00) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1957486 0.96 BCL2 (0.93) BCL2
SCHEMBL1955090 0.96 BCL2 (0.92) BCL2
SCHEMBL19419621 0.96 BCL2 (0.92) BCL2
SCHEMBL19911640 0.96 BCL2 (0.92) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL2483608 0.96 BCL2 (0.92) BCL2
SCHEMBL1957657 0.96 BCL2 (0.92) BCL2
SCHEMBL1954728 0.96 BCL2 (0.92) BCL2
SCHEMBL1958638 0.96 BCL2 (0.92) BCL2
SCHEMBL1702665 0.95 BCL2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4474383-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2024-12-11 — — EP disclosed
EP-4218731-A2 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2023-08-02 — — EP disclosed
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