SCHEMBL21667379

SCHEMBL21667379

O=c1cc(NCCc2ccc(F)cc2)[nH]c(=O)n1-c1cc(F)cc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ GLA P06280 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ GPR84 Q9NQS5 8/20 0.55
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21667192 0.79 MEN1 (0.53) KMT2AMEN1HSD17B10TP53SMN1; SMN2
SCHEMBL16356146 0.77 KMT2A (0.38) KMT2AMEN1GLAHSD17B10TP53
SCHEMBL17476757 0.77 KMT2A (0.38) KMT2AMEN1GLAHSD17B10TP53
SCHEMBL21667376 0.74 KMT2A (0.53) KMT2AMEN1GLAHSD17B10GPR84
SCHEMBL21667390 0.69 POLB (0.39) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL22521704 0.68 SMN1; SMN2 (0.76) KMT2AMEN1GLAHSD17B10GPR84
SCHEMBL16321200 0.67 SMN1; SMN2 (0.63) KMT2AMEN1HSD17B10SMN1; SMN2MAPT
SCHEMBL16321199 0.67 SMN1; SMN2 (0.63) KMT2AMEN1HSD17B10SMN1; SMN2MAPT
SCHEMBL22521701 0.66 TP53 (0.72) KMT2AMEN1GLAHSD17B10GPR84
SCHEMBL21667343 0.65 MEN1 (0.61) KMT2AMEN1HSD17B10GPR84TP53

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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