SCHEMBL8747841

SCHEMBL8747841

CN(Cc1cc(Br)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DHODH Q02127 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL8747750 0.88 DPP4 (0.35) PDE2ADHODHKDM4ECYP1A2HSD17B10
SCHEMBL8748151 0.88 F2 (0.34) PDE2ADHODHKDM4ECYP1A2HSD17B10
SCHEMBL8747888 0.87 KDM4E (0.37) PDE2ADHODHKDM4ECYP1A2HSD17B10
SCHEMBL6054845 0.86 DHODH (0.33) PDE2ADHODH
SCHEMBL8747745 0.86 DHODH (0.43) MEN1KMT2ADHODHCYP1A2TRPV1
SCHEMBL7575613 0.83 DHODH (0.33) PDE2ADHODH
SCHEMBL7555068 0.83 L3MBTL1 (0.34) PDE2AKMT2ADHODH
SCHEMBL7576484 0.81 DHODH (0.34) PDE2ADHODH
SCHEMBL7573217 0.81 DHODH (0.32) PDE2ADHODH
SCHEMBL6558596 0.81 DHODH (0.34) PDE2ADHODHCYP1A2

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
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN claimed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP claimed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO claimed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed