SCHEMBL21667173

SCHEMBL21667173

CC(C)n1c(=O)cc(NCc2cccc(-n3cccn3)c2)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ USP1 O94782 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ PDE9A O76083 1/20 0.37
▸ GLS O94925 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL21667184 0.82 MEN1 (0.43) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL16321805 0.80 CYP3A4 (0.63) LMNACYP3A4CYP2B6USP1KDM5B
SCHEMBL16321803 0.80 CYP3A4 (0.63) LMNACYP3A4CYP2B6USP1KDM5B
SCHEMBL21667347 0.79 CYP3A4 (0.50) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL21667306 0.79 CYP3A4 (0.50) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL20716038 0.79 CYP3A4 (0.61) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL21667374 0.78 CYP3A4 (0.52) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL21667176 0.78 CYP3A4 (0.49) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL21667309 0.78 CYP3A4 (0.49) LMNAMEN1KMT2ACYP3A4CYP2B6
SCHEMBL21667270 0.77 KMT2A (0.64) MEN1KMT2ACYP3A4CYP2B6KDM4E

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
Send feedback