SCHEMBL16140960

SCHEMBL16140960

CC[S+]([O-])c1cc(C(F)(F)F)ccc1-c1cc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CRHR1 P34998 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ CHRNA7 P36544 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
SCHEMBL10280728 0.82 POLB (0.43) POLBCRHR1MAOAMAOBGRIN1
SCHEMBL16140958 0.78 POLB (0.39) POLBCRHR1MAOBGRIN1GRIN2B
SCHEMBL16140961 0.77 DDR1 (0.37) POLB
SCHEMBL15426412 0.77 POLB (0.36) POLBCRHR1GRIN1GRIN2B
SCHEMBL23168987 0.75 JAK2 (0.30) —
SCHEMBL10281047 0.74 POLB (0.42) POLB
SCHEMBL10281057 0.73 POLB (0.41) POLB
SCHEMBL10280733 0.73 POLB (0.41) POLBMAOB
SCHEMBL20708865 0.72 FGFR2 (0.34) —
SCHEMBL17824437 0.72 POLB (0.42) POLB

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
WO-2014157600-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL PESTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME 日本農薬株式会社 (JP) 2014-10-02 — — WO disclosed
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