SCHEMBL28509991

SCHEMBL28509991

Clc1[nH]c2cc(Br)cc3c2c1NCCO3

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 1/20 0.31
▸ 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
SCHEMBL28497293 0.82 ALDH1A1 (0.30) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28506664 0.79 ALDH1A1 (0.31) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28500777 0.77 ALDH1A1 (0.30) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28506639 0.77 TYMP (0.33) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28516302 0.76 KCNMA1 (0.31) —
SCHEMBL28506621 0.76 PDE3B (0.30) —
SCHEMBL28500717 0.75 MAPT (0.39) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28538572 0.74 — —
SCHEMBL28516270 0.73 — —
SCHEMBL28505472 0.70 ALDH1A1 (0.38) ALDH1A1GAAMAPTHSD17B10

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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