SCHEMBL31344692

SCHEMBL31344692

COC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.86
▸ BCL2L1 Q07817 4/20 0.79
▸ MCL1 Q07820 2/20 0.79
▸ BCL2L2 Q92843 2/20 0.79
▸ TMEM97 Q5BJF2 1/20 0.79
▸ BAD Q92934 2/20 0.79
▸ NSD2 O96028 1/20 0.79
▸ ADORA3 P0DMS8 1/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ ADRA2C P18825 1/20 0.79
▸ SLC6A2 P23975 1/20 0.79
▸ BID P55957 1/20 0.79
▸ SLC6A3 Q01959 1/20 0.79
▸ ASPH Q12797 1/20 0.79
▸ NSD1 Q96L73 1/20 0.79
▸ NSD3 Q9BZ95 1/20 0.79

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
SCHEMBL1700093 1.00 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1702504 1.00 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1700095 1.00 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1701671 0.95 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL30314049 0.95 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL19424613 0.94 BCL2 (0.75) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1699927 0.93 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1699923 0.93 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL16160643 0.93 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL29744934 0.93 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97

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-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
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