SCHEMBL16957729

SCHEMBL16957729

C=Cc1cc(C#N)ccc1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 5/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ AR P10275 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ VEGFA P15692 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
SCHEMBL16954818 0.83 ALK (0.39) AR
SCHEMBL16952358 0.83 PDE4B (0.39) SLC22A12PDE4BCCR5CYP11B1CYP11B2
SCHEMBL10164859 0.80 SLC22A12 (0.43) SLC22A12PDE4BAR
SCHEMBL16951588 0.79 AR (0.47) PDE4BAR
SCHEMBL16955678 0.79 SLC22A12 (0.36) SLC22A12PDE4BCYP11B1CYP11B2TDP2
SCHEMBL16951571 0.79 HRH4 (0.36) EPAS1TDP2ARVEGFA
SCHEMBL16952820 0.77 MAPT (0.38) —
SCHEMBL2448493 0.77 USP30 (0.41) SLC22A12CYP11B1CYP11B2ARGRIN1
SCHEMBL16957727 0.77 SLC22A12 (0.37) SLC22A12PDE4BCYP11B1CYP11B2AR
SCHEMBL16177839 0.76 CA12 (0.38) SLC22A12PDE4BCYP11B1CYP11B2AR

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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