SCHEMBL21667355

SCHEMBL21667355

O=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC25B P30305 1/20 0.45
POLB P06746 1/20 0.42
PIK3CB P42338 2/20 0.41
PIK3CA P42336 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39

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
SCHEMBL21667343 0.82 MEN1 (0.61) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21667192 0.82 MEN1 (0.53) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21667385 0.81 MEN1 (0.47) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21667360 0.76 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21667268 0.76 MEN1 (0.60) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21667266 0.76 MEN1 (0.52) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL22639826 0.75 SMN1; SMN2 (0.74) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21667325 0.75 MEN1 (0.51) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL16322520 0.75 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2MAPK13MAPK12
SCHEMBL16322521 0.75 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2MAPK13MAPK12

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