SCHEMBL19503859

SCHEMBL19503859

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.87
▸ HDAC1 Q13547 3/20 0.87
▸ HDAC6 Q9UBN7 3/20 0.87
▸ BCL2L1 Q07817 2/20 0.83
▸ MCL1 Q07820 2/20 0.83
▸ BCL2L2 Q92843 2/20 0.83
▸ NSD2 O96028 1/20 0.83
▸ ADORA3 P0DMS8 1/20 0.83
▸ CYP2C9 P11712 1/20 0.83
▸ ADRA2C P18825 1/20 0.83
▸ SLC6A2 P23975 1/20 0.83
▸ BID P55957 1/20 0.83
▸ SLC6A3 Q01959 1/20 0.83
▸ ASPH Q12797 1/20 0.83
▸ BAD Q92934 1/20 0.83
▸ NSD1 Q96L73 1/20 0.83
▸ NSD3 Q9BZ95 1/20 0.83
▸ TMEM97 Q5BJF2 1/20 0.81

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
SCHEMBL30313906 0.94 BCL2 (0.88) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL28621314 0.94 BCL2 (0.88) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1699820 0.94 BCL2 (0.88) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1700231 0.93 BCL2 (0.84) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1701494 0.93 BCL2 (0.86) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL32663545 0.93 BCL2 (0.86) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL30313966 0.93 BCL2 (0.84) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL21542161 0.93 BCL2 (0.83) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1701827 0.93 BCL2 (1.00) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1699808 0.93 BCL2 (0.86) BCL2HDAC1HDAC6BCL2L1MCL1

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-2017184995-A1 COMPOUNDS THAT INDUCE DEGRADATION OF ANTI-APOPTOTIC BCL-2 FAMILY PROTEINS AND THE USES THEREOF BIOVENTURES, LLC (US) 2017-10-26 — — WO disclosed
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