SCHEMBL28247334

SCHEMBL28247334

Nc1ccnc(OCC(F)F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MBOAT4 Q96T53 2/20 0.35
▸ PDE8A O60658 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
SCHEMBL2368919 0.75 HCRTR2 (0.39) —
SCHEMBL30259181 0.75 HCRTR2 (0.39) —
SCHEMBL20606958 0.72 MBOAT4 (0.33) MBOAT4PDE8A
SCHEMBL2208595 0.72 AURKA (0.43) HPGDSMN1; SMN2
SCHEMBL18952506 0.72 PDE8A (0.31) MBOAT4PDE8A
Methyl Alcohol SCHEMBL4441755 0.69 AURKA (0.41) HPGDSMN1; SMN2
SCHEMBL20607010 0.69 MBOAT4 (0.34) MBOAT4
SCHEMBL25254061 0.69 MBOAT4 (0.32) HPGDSMN1; SMN2MBOAT4PDE8A
SCHEMBL29332333 0.68 TAAR1 (0.42) —
SCHEMBL30977446 0.67 MBOAT4 (0.39) MBOAT4

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-108699037-A NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS 加拉帕戈斯股份有限公司 2018-10-23 — — CN disclosed
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