SCHEMBL29138873

SCHEMBL29138873

O=CN1CCOC[C@@H]1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.41
EPHX2 P34913 6/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LGMN Q99538 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
PDE5A O76074 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SCD5 Q86SK9 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL29138877 1.00 PRKDC (0.41) PRKDCEPHX2HCRTR1HCRTR2LGMN
SCHEMBL29138870 0.82 AKR1C3 (0.39) EPHX2
SCHEMBL29138918 0.82 AKR1C3 (0.39) EPHX2
SCHEMBL29138796 0.82 AKR1C3 (0.39) EPHX2
SCHEMBL29138853 0.82 GRM2 (0.37) PRKDCEPHX2PIK3C3
SCHEMBL29138818 0.82 GRM2 (0.37) PRKDCEPHX2PIK3C3
SCHEMBL29138847 0.82 ALDH1A1 (0.39) MAPTPKM
SCHEMBL29138888 0.82 ALDH1A1 (0.39) MAPTPKM
SCHEMBL29138862 0.80 HDAC1 (0.38) PRKDCMAPT
SCHEMBL29138867 0.80 MLYCD (0.32)

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
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed