SCHEMBL28713541

SCHEMBL28713541

CNc1ccoc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21241302 0.80
SCHEMBL4573872 0.69 SLC6A4 (0.37)
SCHEMBL5078808 0.67 NOTUM (0.31) TSHR
SCHEMBL5658620 0.65 ALDH1A1 (0.37) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL23159409 0.62
SCHEMBL4573868 0.61
SCHEMBL22893863 0.61 LOXL2 (0.33)
SCHEMBL28713544 0.61 AR (0.35) KIF11
SCHEMBL939256 0.60 XDH (0.39) ALOX15KMT2AHSD17B10
SCHEMBL880789 0.59 ALDH1A1 (0.59) MEN1TSHRMAPK1KMT2AHSD17B10

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-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed