SCHEMBL1871704

SCHEMBL1871704

CC1(C)CCC(CN2CCN(c3ccc(C(=O)N[S+]([O-])c4ccc(NCC5CCC(C)(C#N)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.83
▸ BCL2L1 Q07817 3/20 0.73
▸ MCL1 Q07820 2/20 0.73
▸ BCL2L2 Q92843 2/20 0.73
▸ NSD2 O96028 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ ADRA2C P18825 1/20 0.73
▸ SLC6A2 P23975 1/20 0.73
▸ BID P55957 1/20 0.73
▸ SLC6A3 Q01959 1/20 0.73
▸ ASPH Q12797 1/20 0.73
▸ BAD Q92934 1/20 0.73
▸ NSD1 Q96L73 1/20 0.73
▸ NSD3 Q9BZ95 1/20 0.73
▸ TMEM97 Q5BJF2 1/20 0.72

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
SCHEMBL19292332 0.94 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL30313983 0.91 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1699935 0.91 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL2705475 0.90 BCL2 (0.84) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21573161 0.89 BCL2 (0.75) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL22562895 0.89 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21573177 0.88 BCL2 (0.76) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19853638 0.88 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1870981 0.88 BCL2 (0.74) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL27075547 0.87 BCL2 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 — — WO disclosed
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