SCHEMBL21667373

SCHEMBL21667373

O=c1cc(NCc2ccccc2)[nH]c(=O)n1C(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ TYMP P19971 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
SCHEMBL21667210 0.87 SMN1; SMN2 (0.47) SMN1; SMN2TP53CDC25BCYP3A4CYP2B6
SCHEMBL21667361 0.87 SMN1; SMN2 (0.49) SMN1; SMN2TP53CDC25BCYP3A4CYP2B6
SCHEMBL20716038 0.84 CYP3A4 (0.61) SMN1; SMN2TP53CDC25BCYP3A4CYP2B6
SCHEMBL21667277 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TP53CDC25BCYP3A4CYP2B6
SCHEMBL21667278 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TP53CDC25BCYP3A4CYP2B6
SCHEMBL16321311 0.77 CYP3A4 (0.74) SMN1; SMN2TP53CYP3A4CYP2B6MEN1
SCHEMBL16321312 0.77 CYP3A4 (0.74) SMN1; SMN2TP53CYP3A4CYP2B6MEN1
SCHEMBL21667275 0.77 SMN1; SMN2 (0.44) SMN1; SMN2TP53CDC25BCYP3A4CYP2B6
SCHEMBL22639826 0.76 SMN1; SMN2 (0.74) SMN1; SMN2TP53CDC25BPIK3CBPIK3CA
SCHEMBL21667274 0.76 SMN1; SMN2 (0.51) SMN1; SMN2TP53CDC25BPIK3CBPIK3CA

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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