SCHEMBL19940283

SCHEMBL19940283

CC1(C)CCC(CN2CC=C(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.79
▸ NSD2 O96028 1/20 0.74
▸ ADORA3 P0DMS8 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ ADRA2C P18825 1/20 0.74
▸ SLC6A2 P23975 1/20 0.74
▸ BID P55957 1/20 0.74
▸ SLC6A3 Q01959 1/20 0.74
▸ BCL2L1 Q07817 1/20 0.74
▸ MCL1 Q07820 1/20 0.74
▸ ASPH Q12797 1/20 0.74
▸ BCL2L2 Q92843 1/20 0.74
▸ BAD Q92934 1/20 0.74
▸ NSD1 Q96L73 1/20 0.74
▸ NSD3 Q9BZ95 1/20 0.74
▸ HDAC1 Q13547 3/20 0.69
▸ HDAC6 Q9UBN7 3/20 0.69

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
SCHEMBL19939499 0.97 BCL2 (0.78) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL28669114 0.94 BCL2 (0.83) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL28668842 0.93 BCL2 (0.90) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL28674531 0.93 BCL2 (0.74) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL28930476 0.93 BCL2 (0.76) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19939509 0.93 BCL2 (0.78) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19940513 0.92 BCL2 (0.76) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19940333 0.91 BCL2 (0.82) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19939589 0.90 BCL2 (0.90) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19939573 0.90 BCL2 (0.73) BCL2NSD2ADORA3CYP2C9ADRA2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641897-B Bcl-2 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2021-12-07 — — CN disclosed
CN-109293656-A Bcl-2 selective depressant and its preparation and use 北京赛林泰医药技术有限公司 2019-02-01 — — CN disclosed
WO-2018041248-A1 BCL-2 SELECTIVE INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2018-03-08 — — WO disclosed
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