SCHEMBL9254960

SCHEMBL9254960

CCCc1c(Cc2ccc(-c3oc(Br)cc3-c3nnn[nH]3)cc2)c(O)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 18/20 0.34
MBOAT4 Q96T53 1/20 0.32

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
SCHEMBL8314256 0.84 SLC33A1 (0.46) SLC33A1
SCHEMBL9257114 0.82 SLC33A1 (0.34) SLC33A1
SCHEMBL9251346 0.82 SLC33A1 (0.37) SLC33A1
SCHEMBL9254410 0.80 MBOAT4 (0.35) SLC33A1MBOAT4
SCHEMBL7932757 0.80 SLC33A1 (0.45) SLC33A1
SCHEMBL9256744 0.79 SLC33A1 (0.38) SLC33A1
SCHEMBL9253560 0.76 SLC33A1 (0.36) SLC33A1
SCHEMBL9254444 0.75 SLC33A1 (0.48) SLC33A1
SCHEMBL9253961 0.74 SLC33A1 (0.46) SLC33A1MBOAT4
SCHEMBL9257779 0.74 SLC33A1 (0.46) SLC33A1

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
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed