SCHEMBL8115159

SCHEMBL8115159

CCCc1ccc2c(=O)cc(C(N)=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.49
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MAOB P27338 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.42
CSNK2A2 P19784 1/20 0.42
PTGS1 P23219 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL8116101 0.88 AKR1B1 (0.55) AKR1B1KMT2APOLBMAOBKDM4E
SCHEMBL8123206 0.83 AKR1B1 (0.72) AKR1B1KMT2APOLBMAOBKDM4E
SCHEMBL8106900 0.78 POLB (0.62) AKR1B1KMT2APOLBKDM4EALDH1A1
SCHEMBL8115562 0.78 PRKDC (0.56) AKR1B1KMT2AMAOBKDM4EALDH1A1
SCHEMBL8115968 0.77 SLC2A1 (0.60) AKR1B1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL29355363 0.77 ALDH1A1 (0.60) AKR1B1KMT2APOLBMAOBKDM4E
SCHEMBL5188789 0.76 AKR1B1 (0.76) AKR1B1KMT2AMAOBKDM4EALDH1A1
SCHEMBL30225130 0.76 AKR1B1 (0.76) AKR1B1KMT2AMAOBKDM4EALDH1A1
SCHEMBL30643073 0.76 POLB (0.62) KMT2APOLBMAOBALDH1A1MEN1
SCHEMBL30224951 0.75 MAOB (0.53) AKR1B1KMT2AMAOBKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed