SCHEMBL20201743

SCHEMBL20201743

Cc1cnc(OCC(F)(F)F)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SARM1 Q6SZW1 1/20 0.31
CACNA1B Q00975 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
NPC1 O15118 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
SCHEMBL21325274 0.78 CNR2 (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL22751284 0.77 CYP2C19 (0.34) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL12778269 0.76 SCN10A (0.35) SMPD3
SCHEMBL12778265 0.69 MAPT (0.36) ALDH1A1MAPTKDM4EUSP2HSD17B10
SCHEMBL25164045 0.65 RXRA (0.40) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL12301395 0.63 L3MBTL1 (0.45) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL13575846 0.62 PIK3CA (0.41) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2715216 0.61 L3MBTL1 (0.56) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL506299 0.61 CHRNB2 (0.42) ALDH1A1MAPTKMT2ACYP2C19NPC1
SCHEMBL18256809 0.61 NOS1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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