SCHEMBL8427255

SCHEMBL8427255

FC1(F)Oc2cccc(-c3cc[nH]n3)c2O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GPR3 P46089 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
USP1 O94782 1/20 0.32
AKT1 P31749 1/20 0.31
KCNH2 Q12809 1/20 0.31
JAK1 P23458 1/20 0.31
KRAS P01116 1/20 0.30
ATR Q13535 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
SCHEMBL3573245 0.77 JAK2 (0.36) MPOJAK2JAK3PTK2FFAR4
SCHEMBL8884371 0.75 MPO (0.40) MPOJAK2JAK3PTK2FFAR4
SCHEMBL8427158 0.72 DRD2 (0.34) MPOJAK2JAK3PTK2FFAR4
SCHEMBL8884850 0.72 MPO (0.38) MPOJAK2JAK3PTK2FFAR4
SCHEMBL8883615 0.72 KRAS (0.34) MPOJAK2JAK3PTK2FFAR4
SCHEMBL8884101 0.72 JAK2 (0.34) MPOJAK2JAK3PTK2FFAR4
SCHEMBL31188477 0.71 FFAR4 (0.38) MPOJAK2JAK3PTK2FFAR4
SCHEMBL6271254 0.71 FFAR4 (0.38) MPOJAK2JAK3PTK2FFAR4
SCHEMBL8884979 0.70 KRAS (0.32) MPOKRAS
SCHEMBL8886319 0.70 KRAS (0.33) MPOJAK2JAK3PTK2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed
EP-0769905-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1997-05-02 EP disclosed
WO-1996002138-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO disclosed
EP-0638070-A1 FUNGICIDAL ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1995-02-15 EP disclosed
WO-1993022287-A1 FUNGICIDAL ARYLPYRAZOLES RHONE POULENC AGROCHIMIE (FR) 1993-11-11 WO disclosed