SCHEMBL18672255

SCHEMBL18672255

SCc1ccc(C2OCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.39
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL9451016 0.81 MEN1 (0.44) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL16808779 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2237097 0.78 TRPA1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2202537 0.78 VHL (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL11941058 0.78 ALDH1A1 (0.43) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL1680897 0.78 HRH3 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7473813 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL6517744 0.76 FOLH1 (0.38) IDO1MEN1KMT2ACYP2C19HTT
SCHEMBL23703708 0.75 TDP1 (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL8803609 0.75 CA2 (0.45) CCNB2CDK1CCNB1GSK3BCDK5

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-9603951-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof LANTHEUS MEDICAL IMAGING, INC. (US) 2017-03-28 US disclosed