SCHEMBL3955030

SCHEMBL3955030

CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(NC(=O)c4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.80
▸ BCL2 P10415 12/20 0.80
▸ BCL2L2 Q92843 2/20 0.77
▸ MDM4 O15151 1/20 0.77
▸ BCL2L11 O43521 1/20 0.77
▸ TP53 P04637 1/20 0.77
▸ BID P55957 1/20 0.77
▸ BAX Q07812 1/20 0.77
▸ MCL1 Q07820 1/20 0.77
▸ ASPH Q12797 1/20 0.77
▸ BECN1 Q14457 1/20 0.77
▸ BAK1 Q16611 1/20 0.77
▸ BAD Q92934 1/20 0.77
▸ BBC3 Q9BXH1 1/20 0.77
▸ ALB P02768 1/20 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
SCHEMBL3955025 1.00 BCL2L1 (0.80) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL13906606 1.00 BCL2L1 (0.80) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL19425643 0.92 BCL2L1 (0.68) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL3962947 0.91 BCL2L1 (0.83) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL13906613 0.91 BCL2L1 (0.83) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL3962955 0.91 BCL2L1 (0.83) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL13906747 0.90 BCL2L1 (0.74) BCL2L1BCL2BCL2L2ALB
SCHEMBL1540286 0.90 BCL2L1 (0.84) BCL2L1BCL2BCL2L2MDM4BCL2L11
SCHEMBL3954995 0.90 BCL2L1 (0.74) BCL2L1BCL2BCL2L2ALB
SCHEMBL3954990 0.90 BCL2L1 (0.74) BCL2L1BCL2BCL2L2ALB

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-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 — — WO disclosed
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