SCHEMBL7863552

SCHEMBL7863552

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7744894 0.96 MAOA (0.32) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL8723874 0.91 KDM4E (0.32) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL7499630 0.87 MAOB (0.31) MAOAMAOB
SCHEMBL7744876 0.87 MAPT (0.35) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL7868787 0.87 SMN1; SMN2 (0.32) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL8440483 0.85 KDM4E (0.32) SMN1; SMN2KDM4EL3MBTL1
SCHEMBL8725170 0.83
SCHEMBL8443188 0.83 PTGER4 (0.33) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7498439 0.82 HIF1A (0.38) ALDH1A1KDM4EHPGD
SCHEMBL7500162 0.81 HIF1A (0.36) ALDH1A1KDM4EMEN1KMT2A

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-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 EP disclosed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 WO disclosed