SCHEMBL7284981

SCHEMBL7284981

CCOc1cc2c(=O)cc[nH]c2cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ENPP1 P22413 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
KLK7 P49862 3/20 0.43
KLK14 Q9P0G3 3/20 0.43
KLK5 Q9Y337 3/20 0.43
CTSG P08311 2/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 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
SCHEMBL7290454 1.00 IMPDH2 (0.50) IMPDH2PDE3BPDE3AHTTNPSR1
SCHEMBL7290836 0.94 ALDH1A1 (0.47) IMPDH2PDE3BPDE3AHTTALDH1A1
SCHEMBL372048 0.89 IMPDH2 (0.58) IMPDH2PDE3BPDE3AALDH1A1KDM4E
SCHEMBL15275124 0.88 IMPDH2 (0.50) IMPDH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL7291390 0.87 PDE3B (0.51) IMPDH2PDE3BPDE3AENPP1ALDH1A1
SCHEMBL7294056 0.87 IMPDH2 (0.49) IMPDH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL29842783 0.86 IMPDH2 (0.48) IMPDH2PDE3BPDE3AALDH1A1KDM4E
SCHEMBL16207483 0.86 IMPDH2 (0.48) IMPDH2PDE3BPDE3AALDH1A1KDM4E
SCHEMBL5650019 0.86 IMPDH2 (0.48) IMPDH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL7293565 0.83 IMPDH2 (0.46) IMPDH2ALDH1A1KDM4EMAPTHPGD

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-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed