SCHEMBL21751559

SCHEMBL21751559

CC(=O)NCCSc1nc2[nH]ccc2cc1C(Br)OCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.36
▸ MTNR1B P49286 4/20 0.36
▸ IDO1 P14902 13/20 0.36
▸ GSTP1 P09211 1/20 0.31
▸ GSTM2 P28161 1/20 0.31
▸ ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL23908158 0.77 RIPK1 (0.30) —
SCHEMBL21751681 0.77 CDK8 (0.36) —
SCHEMBL21751713 0.76 CDK8 (0.33) —
SCHEMBL21751683 0.73 HSP90AA1 (0.30) —
SCHEMBL21751780 0.70 PDE3B (0.33) —
SCHEMBL23908110 0.70 CYP2C9 (0.33) —
SCHEMBL21751742 0.69 — —
SCHEMBL21751629 0.69 — —
SCHEMBL21751728 0.65 — —
SCHEMBL21751635 0.65 MAPT (0.38) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 — — EP disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
WO-2020041405-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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