SCHEMBL26598871

SCHEMBL26598871

CC1(C)CCC(CN2CCN(c3ccc(C(=O)N[S+]([O-])c4ccc(NCC5CN(S(C)(=O)=O)CCO5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.75
▸ BCL2L1 Q07817 2/20 0.71
▸ MCL1 Q07820 2/20 0.71
▸ BCL2L2 Q92843 2/20 0.71
▸ NSD2 O96028 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ ADRA2C P18825 1/20 0.71
▸ SLC6A2 P23975 1/20 0.71
▸ BID P55957 1/20 0.71
▸ SLC6A3 Q01959 1/20 0.71
▸ ASPH Q12797 1/20 0.71
▸ BAD Q92934 1/20 0.71
▸ NSD1 Q96L73 1/20 0.71
▸ NSD3 Q9BZ95 1/20 0.71
▸ TMEM97 Q5BJF2 1/20 0.67

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
SCHEMBL31344632 0.92 BCL2 (0.88) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1700558 0.92 BCL2 (0.88) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19292332 0.90 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1957071 0.88 — —
SCHEMBL30468012 0.88 BCL2 (0.89) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1699871 0.88 BCL2 (0.89) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1871704 0.87 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21573219 0.86 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL28626181 0.86 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL2726990 0.86 BCL2 (0.88) BCL2BCL2L1MCL1BCL2L2NSD2

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
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 — — EP disclosed
Send feedback