SCHEMBL25437113

SCHEMBL25437113

O=C(O)c1ccc(-c2ccc3c(c2)CCNC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 5/20 0.56
TDP2 O95551 1/20 0.51
SLC2A1 P11166 2/20 0.48
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL30428318 0.87 ALDH1A1 (0.59) ASIC3DRD2DRD3ALDH1A1F2
SCHEMBL1026101 0.87 ALDH1A1 (0.59) ASIC3DRD2DRD3ALDH1A1F2
SCHEMBL1020108 0.86 ASIC3 (0.55) ASIC3SLC2A1CD274SYK
SCHEMBL3707604 0.86 ASIC3 (0.55) ASIC3SLC2A1DRD2DRD3F2
Hydrochloric Acid SCHEMBL22654009 0.85 ALDH1A1 (0.58) ASIC3SLC2A1DRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL28278640 0.84 ALDH1A1 (0.56) ASIC3SLC2A1DRD2DRD3ALDH1A1
SCHEMBL6347388 0.82 ASIC3 (0.65) ASIC3DRD2DRD3CD274
SCHEMBL29589725 0.80 ALDH1A1 (0.59) DRD2DRD3ALDH1A1
SCHEMBL1026913 0.80 ALDH1A1 (0.59) DRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL15671006 0.79 ALDH1A1 (0.58) SLC2A1ALDH1A1

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-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO disclosed