SCHEMBL8035529

SCHEMBL8035529

Sc1ccc(-c2ccccc2)c2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 3/20 0.56
COPS5 Q92905 3/20 0.56
CKS1B P61024 8/20 0.52
SKP2 Q13309 8/20 0.52
GLO1 Q04760 5/20 0.52
COMT P21964 1/20 0.47
TOP1 P11387 2/20 0.44
KDM4E B2RXH2 1/20 0.41
PIK3CD O00329 1/20 0.39

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
SCHEMBL3622684 0.86 PSMD14 (0.56) PSMD14COPS5CKS1BSKP2GLO1
SCHEMBL10300323 0.85 CKS1B (0.58) CKS1BSKP2GLO1COMTTOP1
SCHEMBL12530867 0.79 COMT (0.73) CKS1BSKP2GLO1COMTKDM4E
SCHEMBL28317569 0.79 MEN1 (0.54) CKS1BSKP2GLO1COMTTOP1
SCHEMBL27813415 0.79 CKS1B (0.52) CKS1BSKP2GLO1COMTTOP1
SCHEMBL28964044 0.77 CKS1B (0.55) CKS1BSKP2GLO1COMTTOP1
SCHEMBL4392334 0.77 COMT (0.71) CKS1BSKP2GLO1COMTKDM4E
SCHEMBL27740416 0.77 COMT (0.71) CKS1BSKP2GLO1COMTKDM4E
SCHEMBL24172386 0.76 PARP1 (0.39) KDM4E
SCHEMBL18931200 0.76 COMT (0.56) PSMD14COPS5CKS1BSKP2GLO1

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-6069151-A Quinolines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-30 US claimed