SCHEMBL9117428

SCHEMBL9117428

CCn1cc(-c2oncc2C(=O)C2CC2)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.39
RIPK1 Q13546 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CRACR2A Q9BSW2 1/20 0.32
ELANE P08246 2/20 0.32
GAA P10253 1/20 0.32
MPO P05164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
UCHL1 P09936 1/20 0.31

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
SCHEMBL7817153 0.73 DHODH (0.38) WDR5IRAK4CRACR2APDK1PDK2
SCHEMBL9117434 0.72 CCNE2 (0.31) RIPK1
SCHEMBL5162176 0.70 CRACR2A (0.37) RIPK1CRACR2AGAAKDM4EPDK2
SCHEMBL7807338 0.69 IRAK4 (0.35) WDR5IRAK4ELANEGAA
SCHEMBL9113721 0.68 RXRA (0.37) RIPK1
SCHEMBL9115252 0.68 TRPV1 (0.47)
SCHEMBL8890522 0.65 PTGDR2 (0.38)
SCHEMBL9239396 0.65 KLKB1 (0.31) IRAK4
SCHEMBL9239389 0.65 KLKB1 (0.31) IRAK4
SCHEMBL1194806 0.65 DGAT1 (0.41) GAAKDM4EMEN1CASP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO claimed
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO disclosed