SCHEMBL24469691

SCHEMBL24469691

CC(C)n1c(=O)cc(NCc2c(F)ccc3c2CCO3)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 20/20 0.46
▸ SUZ12 Q15022 15/20 0.44
▸ EZH2 Q15910 15/20 0.44
▸ RBBP4 Q09028 1/20 0.42

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
SCHEMBL24469482 0.81 CYP3A4 (0.50) EEDSUZ12EZH2
SCHEMBL21667264 0.79 CYP3A4 (0.51) —
SCHEMBL24469533 0.78 ALDH1A1 (0.46) —
SCHEMBL21667339 0.73 CYP3A4 (0.46) —
SCHEMBL21667369 0.72 ALDH1A1 (0.64) —
SCHEMBL24469637 0.72 CYP3A4 (0.55) —
SCHEMBL29666985 0.72 CYP3A4 (0.55) —
SCHEMBL21667337 0.72 CYP3A4 (0.53) —
SCHEMBL21667332 0.71 CYP3A4 (0.49) —
SCHEMBL24469529 0.69 CYP3A4 (0.59) —

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
WO-2022111498-A1 PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-06-02 — — WO disclosed
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