SCHEMBL7342245

SCHEMBL7342245

CC[N+]1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
S100A4 P26447 2/20 0.38
MAOA P21397 2/20 0.38
KDM4E B2RXH2 2/20 0.38
BLM P54132 2/20 0.38
PTPRC P08575 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL10700506 0.75 KMT2A (0.39) CDC25BMEN1KMT2ALMNAMAPT
SCHEMBL9065440 0.75 MEN1 (0.39) CDC25BMEN1KMT2ALMNAMAPT
SCHEMBL7420856 0.72 TP53 (0.38) LMNAMAPTALDH1A1MAPK1RAB9A
SCHEMBL4394784 0.72 TAAR1 (0.38) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL6540450 0.72 MAOA (0.38) CDC25BMEN1KMT2ALMNAMAPT
SCHEMBL1412991 0.71 S100A4 (0.39) CDC25BMEN1KMT2ALMNAMAPT
SCHEMBL5423240 0.70 CDC25B (0.45) CDC25BMEN1KMT2ALMNAMAPT
SCHEMBL16286604 0.70 GSK3B (0.46) CDC25BMEN1KMT2ALMNAMAPT
Ether SCHEMBL9341472 0.67 CDC25B (0.37) CDC25BMEN1KMT2ALMNAMAPT
SCHEMBL7993982 0.65 CDC25B (0.45) CDC25BMEN1KMT2ALMNAMAPT

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-0259462-A1 1,4-DIHYDROPYRIDINES Whitby Research Incorporated (US) 1988-03-16 EP claimed
WO-1987005512-A1 1,4-DIHYDROPYRIDINES NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1987-09-24 WO claimed