SCHEMBL8885657

SCHEMBL8885657

O=[N+]([O-])c1c[nH]nc1-c1cccc2c1OC(F)(F)O2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KRAS P01116 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
MPO P05164 1/20 0.31
S100A4 P26447 1/20 0.31
POLB P06746 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
USP1 O94782 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
SCHEMBL8884101 0.79 JAK2 (0.34) KRASFFAR4MPOJAK2JAK3
SCHEMBL8427158 0.79 DRD2 (0.34) KRASFFAR4MPOJAK2JAK3
SCHEMBL8883615 0.79 KRAS (0.34) KRASFFAR4MPOJAK2JAK3
SCHEMBL8884423 0.79 FFAR4 (0.34) KRASFFAR4MPOJAK2JAK3
SCHEMBL8885913 0.77 FFAR4 (0.35) KRASFFAR4MPOJAK2JAK3
SCHEMBL8975989 0.76 TDP1 (0.42) CA1CA2CA7CA9S100A4
SCHEMBL8886319 0.76 KRAS (0.33) KRASFFAR4MPOJAK2JAK3
SCHEMBL8429227 0.75 TDP1 (0.31)
SCHEMBL8885917 0.74 MPO (0.35) KRASMPOJAK2JAK3PTK2
SCHEMBL18253155 0.73 MAPT (0.36) KRASFFAR4JAK2JAK3PTK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663119-A FOR USE IN AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-09-02 US disclosed
US-5523280-A TREATING PLANT DISEASES RHONE-POULENC AGROCHIMIE (FR) 1996-06-04 US disclosed
EP-0538156-A1 Fungicidal phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1993-04-21 EP disclosed