SCHEMBL2777043

SCHEMBL2777043

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(NC(=O)O)nc(NC(=O)O)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.88
▸ NSD2 O96028 1/20 0.79
▸ ADORA3 P0DMS8 1/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ ADRA2C P18825 1/20 0.79
▸ SLC6A2 P23975 1/20 0.79
▸ BID P55957 1/20 0.79
▸ SLC6A3 Q01959 1/20 0.79
▸ BCL2L1 Q07817 1/20 0.79
▸ MCL1 Q07820 1/20 0.79
▸ ASPH Q12797 1/20 0.79
▸ BCL2L2 Q92843 1/20 0.79
▸ BAD Q92934 1/20 0.79
▸ NSD1 Q96L73 1/20 0.79
▸ NSD3 Q9BZ95 1/20 0.79

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
SCHEMBL2774580 0.97 BCL2 (0.89) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1957380 0.96 BCL2 (0.96) BCL2
SCHEMBL18486969 0.94 BCL2 (0.93) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL18486967 0.94 BCL2 (0.93) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1959115 0.94 BCL2 (1.00) BCL2
SCHEMBL18152135 0.94 BCL2 (0.81) BCL2
SCHEMBL1957802 0.93 BCL2 (1.00) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1956134 0.92 BCL2 (0.92) BCL2
SCHEMBL2776970 0.91 BCL2 (0.89) BCL2
SCHEMBL1957553 0.91 BCL2 (1.00) 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 2 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
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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