SCHEMBL20201745

SCHEMBL20201745

Cc1cc(OCC(F)(F)F)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA5 P30532 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR2 P34972 9/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL21324943 0.79 CNR2 (0.40) MEN1KMT2ACNR2ALDH1A1MAPT
SCHEMBL20376102 0.79 CHRNB2 (0.38) CHRNB2CHRNA5CHRNB4CHRNA3MEN1
SCHEMBL20320518 0.76
SCHEMBL17198495 0.75 CHRNB2 (0.40) CHRNB2CHRNA5CHRNB4CHRNA3MEN1
SCHEMBL15872012 0.70 CHRM2 (0.46) MEN1KMT2ACNR2ALDH1A1MAPT
SCHEMBL20204747 0.69 CHRNB2 (0.67) CHRNB2CHRNA5CHRNB4CHRNA3MEN1
SCHEMBL5153799 0.69
SCHEMBL9911981 0.67 HCAR2 (0.39) CHRNB2CHRNB4CHRNA3MEN1KMT2A
SCHEMBL22432048 0.67
SCHEMBL6966897 0.67

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed