SCHEMBL21667270

SCHEMBL21667270

CC(C)n1c(=O)cc(NCc2cccnc2)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ PDE9A O76083 2/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2B6 P20813 1/20 0.48
▸ APAF1 O14727 1/20 0.44
▸ HK1 P19367 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 2/20 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
SCHEMBL20716038 0.85 CYP3A4 (0.61) KMT2AMEN1PDE9ACYP3A4CYP2B6
SCHEMBL21667347 0.81 CYP3A4 (0.50) KMT2AMEN1PDE9ACYP3A4CYP2B6
SCHEMBL21667306 0.81 CYP3A4 (0.50) KMT2AMEN1PDE9ACYP3A4CYP2B6
SCHEMBL21667374 0.80 CYP3A4 (0.52) KMT2AMEN1PDE9ACYP3A4CYP2B6
SCHEMBL21667309 0.80 CYP3A4 (0.49) KMT2AMEN1PDE9ACYP3A4CYP2B6
SCHEMBL21667176 0.80 CYP3A4 (0.49) KMT2AMEN1CYP3A4CYP2B6L3MBTL1
SCHEMBL21667252 0.78 PDE9A (0.50) KMT2AMEN1PDE9ACYP3A4CYP2B6
SCHEMBL21667332 0.78 CYP3A4 (0.49) KMT2AMEN1CYP3A4CYP2B6POLB
SCHEMBL16321586 0.77 CYP3A4 (0.73) KMT2AMEN1CYP3A4CYP2B6KDM4E
SCHEMBL16321585 0.77 CYP3A4 (0.73) KMT2AMEN1CYP3A4CYP2B6KDM4E

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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