SCHEMBL22367979

SCHEMBL22367979

CC(C)n1c(=O)[nH]c(NCCc2ccccc2)c(F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ TAAR1 Q96RJ0 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ MAPK1 P28482 2/20 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
SCHEMBL21667314 0.87 CDK1 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AMAPT
SCHEMBL21667179 0.78 PGR (0.44) LMNAHTTTP53GPR84MAPT
SCHEMBL21667303 0.76 PDE9A (0.46) LMNATP53GPR84MAPTADORA1
SCHEMBL21667336 0.75 CDK1 (0.45) SMN1; SMN2L3MBTL1MEN1KMT2AMAPT
SCHEMBL16321187 0.75 CYP3A4 (0.56) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL16321188 0.75 CYP3A4 (0.56) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL21667181 0.75 PDE9A (0.48) TAAR1MEN1KMT2AMAPTTSHR
SCHEMBL21667365 0.74 SMN1; SMN2 (0.70) SMN1; SMN2LMNAHTTTP53GPR84
SCHEMBL16322530 0.74 CYP3A4 (0.43) SMN1; SMN2HTTKDM4EBRD4POLB
SCHEMBL18898509 0.72 LMNA (0.40) SMN1; SMN2LMNAHTTL3MBTL1MEN1

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-3702352-A1 PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2020-09-02 — — EP disclosed
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