SCHEMBL29131007

SCHEMBL29131007

COc1nc(OC2COC2)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.38
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OGA O60502 1/20 0.31
LRRK2 Q5S007 2/20 0.31
ROCK2 O75116 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
SCHEMBL30602397 1.00 MBOAT4 (0.38) MBOAT4POLBTDP1OGALRRK2
SCHEMBL30602477 0.88 ERBB2 (0.39) LRRK2
SCHEMBL29130963 0.88 ERBB2 (0.39) LRRK2
SCHEMBL30602452 0.85 LRRK2 (0.37) LRRK2
SCHEMBL29130950 0.85 LRRK2 (0.37) LRRK2
SCHEMBL3597491 0.77 SMN1; SMN2 (0.38)
Hydrochloric Acid SCHEMBL3601390 0.76 SMN1; SMN2 (0.37)
SCHEMBL1460108 0.75 POLB (0.50) MBOAT4POLBTDP1
SCHEMBL29850137 0.75 POLB (0.50) MBOAT4POLBTDP1
SCHEMBL30648400 0.70 HTR7 (0.39)

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-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed