SCHEMBL28946577

SCHEMBL28946577

NC(=O)Oc1cccc(CCCn2ccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 7/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL28803051 0.77 CYP19A1 (0.49) TBXAS1MEN1KMT2ACYP19A1
SCHEMBL28803121 0.76 TBXAS1 (0.43) TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL28803087 0.75 MEN1 (0.36) MEN1KMT2A
SCHEMBL28803053 0.72 MBOAT4 (0.33) —
SCHEMBL28445294 0.72 MEN1 (0.40) MEN1KMT2A
SCHEMBL28803086 0.70 QPCT (0.50) TBXAS1MEN1KMT2AKDM4EALDH1A1
SCHEMBL14842178 0.70 MEN1 (0.41) MEN1KMT2A
SCHEMBL14829642 0.69 CYP3A4 (0.55) TBXAS1CYP19A1
SCHEMBL27813484 0.69 PARP1 (0.50) MEN1KMT2A
SCHEMBL27961424 0.69 MEN1 (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805334-B QC and GSK-3 beta multi-targeting inhibitor and preparation method and application thereof 深圳大学 2023-06-09 — — CN disclosed
CN-114805334-A QC and GSK-3 beta multi-target inhibitor and preparation method and application thereof 深圳大学 2022-07-29 — — CN disclosed
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