SCHEMBL19781337

SCHEMBL19781337

Clc1ccc(C#CSI)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.40
AHR P35869 4/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PTPRC P08575 2/20 0.31
IDO1 P14902 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTPRG P23470 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
SCHEMBL19781335 0.82 FFAR1 (0.31)
SCHEMBL22666661 0.77 APP (0.36)
SCHEMBL22163459 0.76 KCNH2 (0.39) TSHRCYP3A4MAPK1IDO1
SCHEMBL18435121 0.71
SCHEMBL3817229 0.71 PYGL (0.43) PYGLAHRTP53TSHRCYP3A4
SCHEMBL22853322 0.71 GRM5 (0.43)
SCHEMBL22163060 0.71 KDM4E (0.35) ALDH1A1
SCHEMBL717466 0.70 APP (0.55) PYGLPTPRC
SCHEMBL31337636 0.68 EGFR (0.41) PYGLAHRTP53HSD17B10ALDH1A1
SCHEMBL22163477 0.68 CA2 (0.42) TSHRCYP3A4MAPK1TDP1ALDH1A1

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-2018011094-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2018-01-18 WO disclosed