SCHEMBL25333323

SCHEMBL25333323

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@H](N6CCNCC6)CC5)c(S(=O)(=O)C(F)(F)F)c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.86
▸ BCL2L1 Q07817 2/20 0.73
▸ MCL1 Q07820 2/20 0.73
▸ BCL2L2 Q92843 2/20 0.73
▸ TMEM97 Q5BJF2 1/20 0.73
▸ NSD2 O96028 1/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ ADRA2C P18825 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ BID P55957 1/20 0.72
▸ SLC6A3 Q01959 1/20 0.72
▸ ASPH Q12797 1/20 0.72
▸ BAD Q92934 1/20 0.72
▸ NSD1 Q96L73 1/20 0.72
▸ NSD3 Q9BZ95 1/20 0.72

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
SCHEMBL30485139 1.00 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL25333332 1.00 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL31450908 0.95 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL26647979 0.95 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL26648486 0.93 BCL2 (0.89) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL31450997 0.93 BCL2 (0.89) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL31450966 0.93 BCL2 (0.89) BCL2
SCHEMBL31450969 0.93 BCL2 (0.89) BCL2
SCHEMBL26647805 0.93 BCL2 (0.89) BCL2
SCHEMBL1702331 0.92 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2

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-4461730-A1 PROTEIN DEGRADERS DEVELOPED ON BASIS OF BCL-2 FAMILY PROTEIN LIGAND COMPOUNDS AND USE THEREOF Shanghaitech University (CN) 2024-11-13 — — EP disclosed
WO-2023131118-A1 PROTEIN DEGRADERS DEVELOPED ON BASIS OF BCL-2 FAMILY PROTEIN LIGAND COMPOUNDS AND USE THEREOF 上海科技大学 2023-07-13 — — WO disclosed
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