SCHEMBL21291488

SCHEMBL21291488

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NSc4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5ccnc-5n(COP(=O)(O)O)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.72
▸ NSD2 O96028 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ ADRA2C P18825 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ BID P55957 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ BCL2L1 Q07817 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ ASPH Q12797 1/20 0.62
▸ BCL2L2 Q92843 1/20 0.62
▸ BAD Q92934 1/20 0.62
▸ NSD1 Q96L73 1/20 0.62
▸ NSD3 Q9BZ95 1/20 0.62

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
SCHEMBL523173 0.91 BCL2 (0.86) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL524070 0.86 BCL2 (0.77) BCL2BCL2L1MCL1BCL2L2
SCHEMBL18474331 0.85 BCL2 (0.83) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL3501543 0.84 BCL2 (1.00) BCL2
SCHEMBL17627321 0.83 BCL2 (0.82) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19503727 0.81 BCL2 (0.75) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19424638 0.81 BCL2 (0.68) BCL2BCL2L1MCL1BCL2L2
SCHEMBL17627311 0.81 BCL2 (0.64) BCL2BCL2L1
SCHEMBL524049 0.81 BCL2 (0.75) BCL2
SCHEMBL21233544 0.80 BCL2 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019161221-A2 SELECTIVE BCL-2 INHIBITORS IN COMBINATION WITH AN ANTI-PD-1 OR AN ANTI-PD-L1 ANTIBODY FOR THE TREATMENT OF CANCERS ABBVIE INC. (US) 2019-08-22 — — WO disclosed
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