SCHEMBL21667384

SCHEMBL21667384

CCCn1c(=O)cc(NCc2cccc(F)c2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
KDM1A O60341 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL21667283 0.88 KMT2A (0.50) GPR84TP53SMN1; SMN2KMT2AMEN1
SCHEMBL21667382 0.86 ADORA1 (0.49) GPR84TP53SMN1; SMN2ADORA1KMT2A
SCHEMBL21667187 0.86 SMN1; SMN2 (0.54) TP53SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL21667344 0.85 EGFR (0.54) TP53SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL21667329 0.83 GRM2 (0.52) SMN1; SMN2KMT2AMEN1HSD17B10DAO
SCHEMBL21667340 0.81 ADORA2A (0.45) GPR84SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL21667176 0.81 CYP3A4 (0.49) GPR84TP53SMN1; SMN2KMT2AMEN1
SCHEMBL16320817 0.78 HTT (0.53) KDM1ASMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL16320816 0.78 HTT (0.53) KDM1ASMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL21667387 0.76 PGR (0.47) GPR84TP53SMN1; SMN2ADORA1KMT2A

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