SCHEMBL21667352

SCHEMBL21667352

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GPR84 Q9NQS5 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ POLB P06746 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
SCHEMBL21667332 0.89 CYP3A4 (0.49) KMT2AMEN1GLAHSD17B10GPR84
SCHEMBL22442420 0.81 CYP3A4 (0.58) KMT2ACYP3A4CYP2B6TP53ALDH1A1
SCHEMBL16322052 0.81 CYP3A4 (0.58) KMT2ACYP3A4CYP2B6TP53ALDH1A1
SCHEMBL21667283 0.78 KMT2A (0.50) KMT2AMEN1GLAHSD17B10GPR84
SCHEMBL21667210 0.77 SMN1; SMN2 (0.47) KMT2AMEN1CYP3A4CYP2B6TP53
SCHEMBL21667275 0.76 SMN1; SMN2 (0.44) KMT2AMEN1CYP3A4CYP2B6TP53
SCHEMBL21667361 0.76 SMN1; SMN2 (0.49) KMT2AMEN1GLAGPR84CYP3A4
SCHEMBL21667339 0.76 CYP3A4 (0.46) KMT2AMEN1GLAHSD17B10CYP3A4
SCHEMBL21667176 0.76 CYP3A4 (0.49) KMT2AMEN1GPR84CYP3A4CYP2B6
SCHEMBL20716038 0.76 CYP3A4 (0.61) KMT2AMEN1GPR84CYP3A4CYP2B6

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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