SCHEMBL21667376

SCHEMBL21667376

CC(n1c(=O)cc(NCCc2ccc(F)cc2)[nH]c1=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GPR84 Q9NQS5 8/20 0.51
▸ CYP3A4 P08684 3/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ POLB P06746 2/20 0.35

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
SCHEMBL22383610 0.91 TP53 (0.52) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL16321957 0.82 CYP3A4 (0.41) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL16321961 0.82 CYP3A4 (0.41) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL21667277 0.78 SMN1; SMN2 (0.49) KMT2AMEN1GLASMN1; SMN2TP53
SCHEMBL21667332 0.76 CYP3A4 (0.49) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL21667365 0.76 SMN1; SMN2 (0.70) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL21667379 0.74 KMT2A (0.57) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL21667352 0.73 KMT2A (0.41) KMT2AMEN1GLAHSD17B10SMN1; SMN2
SCHEMBL22383609 0.73 CYP3A4 (0.41) KMT2AMEN1HSD17B10SMN1; SMN2TP53
SCHEMBL22521704 0.69 SMN1; SMN2 (0.76) KMT2AMEN1GLAHSD17B10SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
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