SCHEMBL18419261

SCHEMBL18419261

COc1c2ccncc2c(OC)c2sc(C=NCC(F)F)cc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 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
SCHEMBL18384609 1.00 MAOA (0.32) MAOA
SCHEMBL18384605 0.78 CYP2A6 (0.42) MAOA
SCHEMBL18384711 0.78 CYP2A6 (0.42) MAOA
SCHEMBL18384583 0.74 MAOA (0.38) MAOA
SCHEMBL18419268 0.73 MAOA (0.35) MAOA
SCHEMBL18384571 0.72 MAOA (0.33) MAOA
SCHEMBL18384607 0.72 MAOA (0.33) MAOA
SCHEMBL18384590 0.71 MAOA (0.41) MAOA
SCHEMBL18473250 0.70 MAOA (0.38) MAOA
SCHEMBL18384610 0.70 MAOA (0.38) MAOA

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
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 — — EP disclosed
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