SCHEMBL9499282

SCHEMBL9499282

C=Cc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 2/20 0.34
GPR35 Q9HC97 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL9452230 0.78 KDM4E (0.61) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10809192 0.76 KDM4E (0.58) HPGDLMNAKDM4EMEN1MAPK1
SCHEMBL9502884 0.75 EIF4A3 (0.50) CDK1GSK3AGSK3BCDK5HPGD
SCHEMBL9501058 0.73 GPR84 (0.41) GSK3BHPGDLMNAKDM4EMEN1
SCHEMBL9502841 0.72 CTSV (0.46) HPGDLMNAALDH1A1CYP1A2HSD17B10
SCHEMBL9500238 0.71 PARP1 (0.31) HPGDLMNAKDM4EMEN1MAPK1
SCHEMBL9452280 0.71 KDM4E (0.47) HPGDLMNAKDM4EMEN1MAPK1
SCHEMBL25936349 0.69 KIF11 (0.52) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9500206 0.67 ALDH1A1 (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9501343 0.67 KDM4E (0.58) HPGDKDM4EMEN1MAPK1KMT2A

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-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed