SCHEMBL30622016

SCHEMBL30622016

O=C(NS(=O)(=O)c1ccc(OCC2(F)CCN(C3COC3)CC2)c([N+](=O)[O-])c1)c1ccccc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.73
▸ BCL2L1 Q07817 18/20 0.73
▸ CYP2C9 P11712 1/20 0.69
▸ BAD Q92934 1/20 0.55

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
SCHEMBL30622011 0.96 BCL2L1 (0.70) BCL2BCL2L1CYP2C9BAD
SCHEMBL2724191 0.96 BCL2L1 (0.70) BCL2BCL2L1CYP2C9BAD
SCHEMBL29796301 0.94 BCL2 (0.69) BCL2BCL2L1CYP2C9BAD
SCHEMBL2726707 0.94 BCL2 (0.69) BCL2BCL2L1CYP2C9BAD
SCHEMBL1869287 0.90 BCL2 (0.68) BCL2BCL2L1CYP2C9BAD
SCHEMBL29796199 0.90 BCL2 (0.68) BCL2BCL2L1CYP2C9BAD
SCHEMBL30314123 0.89 BCL2 (0.60) BCL2BCL2L1CYP2C9
SCHEMBL29796244 0.89 BCL2 (0.60) BCL2BCL2L1CYP2C9BAD
SCHEMBL1872740 0.89 BCL2 (0.61) BCL2BCL2L1CYP2C9
SCHEMBL29796468 0.89 BCL2 (0.61) BCL2BCL2L1CYP2C9

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
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