SCHEMBL28497293

SCHEMBL28497293

Brc1cc2c3c(c(I)[nH]c3c1)NCCO2

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL28538572 0.92 — —
SCHEMBL28509991 0.82 FABP6 (0.31) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28506621 0.81 PDE3B (0.30) —
SCHEMBL28506664 0.79 ALDH1A1 (0.31) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28506639 0.77 TYMP (0.33) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28500777 0.77 ALDH1A1 (0.30) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28516302 0.76 KCNMA1 (0.31) —
SCHEMBL28500717 0.75 MAPT (0.39) ALDH1A1GAAMAPTHSD17B10
SCHEMBL31076265 0.74 MAPT (0.35) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28501883 0.73 FABP6 (0.31) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409378-A Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2021-02-26 — — CN disclosed
CN-108349996-B Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2021-01-08 — — CN disclosed
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