Sugi Predict

Sugi Predict / Compounds / SCHEMBL17004404

SCHEMBL17004404

SCHEMBL17004404

C[C@H]1C2C[C@@H](C[C@@H]1Nc1ccccc1CN1CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)cc3)CC1)C2(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 16/20 0.54
▸ BCL2L1 Q07817 2/20 0.51

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
SCHEMBL2386828 1.00 BCL2 (0.54) BCL2BCL2L1
SCHEMBL17004406 1.00 BCL2 (0.54) BCL2BCL2L1
SCHEMBL2386833 1.00 BCL2 (0.54) BCL2BCL2L1
SCHEMBL17004407 1.00 BCL2 (0.54) BCL2BCL2L1
SCHEMBL2387274 0.93 BCL2 (0.55) BCL2BCL2L1
SCHEMBL17350473 0.92 BCL2 (0.54) BCL2BCL2L1
SCHEMBL2387451 0.92 BCL2 (0.54) BCL2BCL2L1
SCHEMBL2387446 0.92 BCL2 (0.54) BCL2BCL2L1
SCHEMBL17350472 0.92 BCL2 (0.54) BCL2BCL2L1
SCHEMBL19419644 0.89 BCL2 (0.54) BCL2BCL2L1

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-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 — — EP disclosed