SCHEMBL5756908

SCHEMBL5756908

O=C1Cc2c(F)cc(CO)cc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.35
CMA1 P23946 3/20 0.35
MAOB P27338 2/20 0.35
GAA P10253 1/20 0.34
GSK3B P49841 4/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
GSK3A P49840 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
NR3C2 P08235 1/20 0.32
PDK2 Q15119 1/20 0.32
EIF2AK2 P19525 1/20 0.31

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
SCHEMBL9834315 0.76 GSK3B (0.45) AHRCMA1MAOBGSK3BCCNB2
SCHEMBL5343358 0.74 HTR1A (0.44) DRD2DRD3NR3C2
SCHEMBL253953 0.74 AHR (0.52) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL20588667 0.73 CMA1 (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL29502199 0.73 CMA1 (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL9834708 0.71 TDP2 (0.36) AHRCMA1GAAGSK3BCCNB2
SCHEMBL2811609 0.70 AHR (0.56) AHRCMA1MAOBGAAPDK2
SCHEMBL29746650 0.70 AHR (0.56) AHRCMA1MAOBGAAPDK2
SCHEMBL259997 0.68 MAOB (0.43) AHRCMA1MAOBGAAPDK2
SCHEMBL261277 0.67 AHR (0.48) AHRCMA1GSK3BCCNB2CDK1

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-1706376-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-10-04 EP disclosed
WO-2005054188-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2005-06-16 WO disclosed