SCHEMBL19503524

SCHEMBL19503524

CCOC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAD Q92934 4/20 0.79
▸ BCL2 P10415 16/20 0.70
▸ BCL2L1 Q07817 15/20 0.70
▸ BCL2L2 Q92843 4/20 0.70
▸ BCL2L11 O43521 2/20 0.70
▸ MCL1 Q07820 2/20 0.70
▸ ASPH Q12797 2/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ MDM4 O15151 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ BID P55957 1/20 0.60
▸ BAX Q07812 1/20 0.60
▸ BECN1 Q14457 1/20 0.60
▸ BAK1 Q16611 1/20 0.60
▸ BBC3 Q9BXH1 1/20 0.60
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58

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
SCHEMBL19503717 0.95 BAD (0.81) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25068563 0.92 BAD (0.81) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25068094 0.92 BAD (0.84) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL15484588 0.92 BAD (0.85) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL1540926 0.92 BAD (0.85) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25067960 0.91 BAD (0.80) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25068557 0.91 BAD (0.86) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25067733 0.89 BAD (0.77) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL25067950 0.89 BAD (0.77) BADBCL2BCL2L1BCL2L2BCL2L11
SCHEMBL1541222 0.89 BAD (1.00) 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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