SCHEMBL17302196

SCHEMBL17302196

COc1nc(F)c(C)c(F)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.31
CYP1A2 P05177 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
SCHEMBL17302206 0.76 CYP1A2 (0.42) MEN1KMT2AATMMAPTTSHR
SCHEMBL33145 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL10083615 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL7804792 0.71 MEN1 (0.34) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL23905835 0.71 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL9194408 0.70 CYP1A2 (0.42) CYP1A2
SCHEMBL12127321 0.69
SCHEMBL4271009 0.69 CYP1A2 (0.40) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL1131131 0.67 GAA (0.47) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL8844371 0.67 GAA (0.47) ALDH1A1MEN1KMT2AATMMAPT

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-2015181544-A2 CHEMICALLY MODIFYING PEPTIDES THE UNIVERSITY OF DURHAM (GB) 2015-12-03 WO disclosed