SCHEMBL21667332

SCHEMBL21667332

CC(C)n1c(=O)cc(NCc2ccc(F)cc2)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ PGR P06401 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GPR84 Q9NQS5 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL21667352 0.89 KMT2A (0.41) CYP3A4CYP2B6PGRKMT2AMEN1
SCHEMBL20716038 0.86 CYP3A4 (0.61) CYP3A4CYP2B6KMT2AMEN1GPR84
SCHEMBL21667176 0.86 CYP3A4 (0.49) CYP3A4CYP2B6PGRKMT2AMEN1
SCHEMBL21667381 0.85 PDE5A (0.48) CYP3A4CYP2B6KMT2AMEN1HSD17B10
SCHEMBL21667339 0.84 CYP3A4 (0.46) CYP3A4CYP2B6PGRKMT2AMEN1
SCHEMBL16324638 0.82 CYP3A4 (0.53) CYP3A4CYP2B6PGRKMT2AMEN1
SCHEMBL16324639 0.82 CYP3A4 (0.53) CYP3A4CYP2B6PGRKMT2AMEN1
SCHEMBL21667264 0.81 CYP3A4 (0.51) CYP3A4CYP2B6PGRKMT2AMEN1
SCHEMBL21667347 0.80 CYP3A4 (0.50) CYP3A4CYP2B6KMT2AMEN1BRD4
SCHEMBL21667306 0.80 CYP3A4 (0.50) CYP3A4CYP2B6PGRKMT2AMEN1

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
EP-3702352-A1 PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2020-09-02 — — EP disclosed
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
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