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SCHEMBL17350554

SCHEMBL17350554

CC(=O)N(C1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1)[C@H]1C[C@@H]2CC([C@H]1C)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 17/20 0.47
▸ BCL2 P10415 14/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALB P02768 1/20 0.41
▸ BCL2L2 Q92843 1/20 0.41

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
SCHEMBL2388417 1.00 BCL2L1 (0.47) BCL2L1BCL2ALDH1A1MAPTHTT
SCHEMBL2388421 1.00 BCL2L1 (0.47) BCL2L1BCL2ALDH1A1MAPTHTT
SCHEMBL19419640 1.00 BCL2L1 (0.47) BCL2L1BCL2ALDH1A1MAPTHTT
SCHEMBL17350552 1.00 BCL2L1 (0.47) BCL2L1BCL2ALDH1A1MAPTHTT
SCHEMBL2386759 0.93 BCL2L1 (0.49) BCL2L1BCL2ALBBCL2L2
SCHEMBL2386756 0.93 BCL2L1 (0.49) BCL2L1BCL2ALBBCL2L2
SCHEMBL2387542 0.91 BCL2L1 (0.48) BCL2L1BCL2ALBBCL2L2
SCHEMBL2387538 0.91 BCL2L1 (0.48) BCL2L1BCL2ALBBCL2L2
SCHEMBL2388939 0.90 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2
SCHEMBL2388935 0.90 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2

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-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 — — EP disclosed