SCHEMBL16959596

SCHEMBL16959596

[CH2]C(CF)c1cc(C#N)ccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ PNMT P11086 3/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL16955612 0.83 KIF11 (0.33) PNMTTRPV4
SCHEMBL16959300 0.83 MAOB (0.38) TRPV4CYP11B1CYP11B2
SCHEMBL16957673 0.83 TRPV4 (0.38) TRPV4CYP11B1CYP11B2
SCHEMBL16955967 0.83 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL16962201 0.81 CYP2A6 (0.39) TRPV4
SCHEMBL16954337 0.81 MEN1 (0.32) PNMT
SCHEMBL16955533 0.81 AR (0.37) CYP11B1CYP11B2
SCHEMBL16958586 0.81 VCAM1 (0.39) PNMTTRPV4
SCHEMBL16960141 0.81 TTR (0.32) PNMT
SCHEMBL16953551 0.81 CYP2A6 (0.35) PNMTTRPV4CYP11B1CYP11B2

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
Send feedback