SCHEMBL8723874

SCHEMBL8723874

CCON=C(C=NOC(C)c1ccccc1C(=COC)C(=O)OC)c1ccc(Br)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7499630 0.96 MAOB (0.31)
SCHEMBL7863552 0.91 ALDH1A1 (0.34) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7498420 0.88 SMN1; SMN2 (0.36) KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL7744894 0.87 MAOA (0.32) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7495603 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7742973 0.85 NPC1 (0.39) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7741762 0.84 HDAC1 (0.37) ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL8030454 0.83 L3MBTL1 (0.37) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7872443 0.83 HIF1A (0.30)
SCHEMBL8441800 0.82 MAPK14 (0.37)

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
WO-1998028262-A1 O-BENZYL OXIME ETHER DERIVATIVES AS PECTICIDES NOVARTIS AG (CH) 1998-07-02 WO disclosed