SCHEMBL1861888

SCHEMBL1861888

CC1(C)CCC(CN2CCN(c3ccc(C(=O)N[S+]([O-])c4ccc(NC5CCC(N6CCN(C7CCOCC7)CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.81
▸ NSD2 O96028 1/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ SLC6A2 P23975 1/20 0.69
▸ BID P55957 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ BCL2L1 Q07817 1/20 0.69
▸ MCL1 Q07820 1/20 0.69
▸ ASPH Q12797 1/20 0.69
▸ BCL2L2 Q92843 1/20 0.69
▸ BAD Q92934 1/20 0.69
▸ NSD1 Q96L73 1/20 0.69
▸ NSD3 Q9BZ95 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
SCHEMBL27075547 0.94 BCL2 (0.83) BCL2
SCHEMBL1870981 0.92 BCL2 (0.74) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1699863 0.91 BCL2 (0.96) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1699862 0.91 BCL2 (0.96) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL29657408 0.91 BCL2 (0.96) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19292332 0.91 BCL2 (0.83) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL1863433 0.90 BCL2 (0.83) BCL2
SCHEMBL21573216 0.90 BCL2 (0.73) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL8515424 0.90 BCL2 (0.76) BCL2
SCHEMBL1701506 0.89 BCL2 (1.00) BCL2NSD2ADORA3CYP2C9ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 — — EP claimed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 — — WO claimed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 — — WO claimed
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