SCHEMBL9768817

SCHEMBL9768817

O=[C]c1ccc2ccccc2c1C(=O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.51
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
CNR2 P34972 10/20 0.46
CNR1 P21554 9/20 0.46
MMP3 P08254 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NR1I2 O75469 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL2318839 0.82 CNR2 (0.46) CDC25BCNR2CNR1ALDH1A1HTT
SCHEMBL5911604 0.81 CDC25B (0.61) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL4068640 0.81 BCL2 (0.44) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL4899928 0.80 HSD17B10 (0.55) CDC25BNR4A1NR4A2NR4A3MAPT
SCHEMBL2319104 0.79 CES2 (0.49) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL11383181 0.77 CDC25B (0.56) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL6238903 0.77 BCL2L1 (0.55) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL31338901 0.77 CDC25B (0.54) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL244802 0.76 CDC25B (0.80) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL29414437 0.76 CDC25B (0.80) CDC25BNR4A1NR4A2NR4A3CNR2

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
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 US disclosed