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SCHEMBL1957954

SCHEMBL1957954

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N(C5CCNCC5)C5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(NC(=O)OC(C)(C)C)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.71
▸ NSD2 O96028 1/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ ADRA2C P18825 1/20 0.64
▸ SLC6A2 P23975 1/20 0.64
▸ BID P55957 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.64
▸ BCL2L1 Q07817 1/20 0.64
▸ MCL1 Q07820 1/20 0.64
▸ ASPH Q12797 1/20 0.64
▸ BCL2L2 Q92843 1/20 0.64
▸ BAD Q92934 1/20 0.64
▸ NSD1 Q96L73 1/20 0.64
▸ NSD3 Q9BZ95 1/20 0.64

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
SCHEMBL1959100 0.91 BCL2 (0.66) BCL2
SCHEMBL1958625 0.89 BCL2 (0.64) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1959125 0.88 BCL2 (0.90) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL3498047 0.86 BCL2 (0.70) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL3497514 0.86 BCL2 (0.90) BCL2
SCHEMBL1957379 0.86 BCL2 (0.80) BCL2
SCHEMBL1959370 0.86 BCL2 (0.65) BCL2
SCHEMBL2481508 0.85 BCL2 (0.73) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1959535 0.84 BCL2 (0.65) BCL2
SCHEMBL1957647 0.84 BCL2 (0.76) BCL2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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