SCHEMBL19503527

SCHEMBL19503527

CCCN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1[SH](=O)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAD Q92934 3/20 0.76
▸ BCL2 P10415 12/20 0.69
▸ BCL2L1 Q07817 12/20 0.69
▸ BCL2L2 Q92843 5/20 0.69
▸ BCL2L11 O43521 2/20 0.69
▸ MCL1 Q07820 2/20 0.69
▸ ASPH Q12797 2/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ HDAC3 O15379 5/20 0.58
▸ HDAC4 P56524 5/20 0.58
▸ HDAC1 Q13547 5/20 0.58
▸ HDAC7 Q8WUI4 5/20 0.58
▸ HDAC2 Q92769 5/20 0.58
▸ HDAC10 Q969S8 5/20 0.58
▸ HDAC11 Q96DB2 5/20 0.58
▸ HDAC8 Q9BY41 5/20 0.58
▸ HDAC6 Q9UBN7 5/20 0.58
▸ HDAC9 Q9UKV0 5/20 0.58
▸ HDAC5 Q9UQL6 5/20 0.58
▸ MDM4 O15151 1/20 0.57

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
SCHEMBL19014626 0.91 BCL2L1 (0.82) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25068093 0.89 BCL2 (0.71) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25068021 0.89 BCL2 (0.72) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL19424243 0.88 BAD (0.86) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL20992957 0.88 BCL2L1 (0.83) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL1541222 0.86 BAD (1.00) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL19014619 0.86 BCL2L1 (0.80) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL24985389 0.86 BCL2 (0.86) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL1567618 0.86 BCL2L1 (0.86) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL1628701 0.86 BCL2 (0.86) BADBCL2BCL2L1BCL2L2BCL2L11

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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