SCHEMBL16958477

SCHEMBL16958477

C=[C]c1ccc(C#N)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
PGR P06401 1/20 0.46
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 1/20 0.44

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
SCHEMBL16950438 0.89 ALDH1A1 (0.58) ARALDH1A1KDM4EUSP2PGR
SCHEMBL24476682 0.86 AR (0.54) ARALDH1A1KDM4EUSP2PGR
SCHEMBL26516710 0.81 AR (0.50) ARALDH1A1KDM4EUSP2PGR
SCHEMBL16960425 0.81 TRPV4 (0.47) ARALDH1A1KDM4EUSP2
SCHEMBL22172066 0.80 AR (0.49) ARALDH1A1KDM4EUSP2PGR
SCHEMBL19180753 0.79 AR (0.51) ARALDH1A1KDM4EUSP2PGR
SCHEMBL10423499 0.78 CA2 (0.48) ARALDH1A1KDM4E
SCHEMBL16954246 0.77 KCNJ1 (0.37) ARPGR
SCHEMBL29006628 0.77 AR (0.46) ARALDH1A1KDM4EUSP2PGR
SCHEMBL2761994 0.77 ALDH1A1 (0.59) ARALDH1A1KDM4EUSP2PGR

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