SCHEMBL7863569

SCHEMBL7863569

CCON=C(C(C)=O)c1ccc(OCC(=NOC)c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FFAR1 O14842 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL7863565 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL6700689 0.77 CYP1A2 (0.47) SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL6700693 0.77 CYP1A2 (0.47) SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL5798052 0.72 PPARA (0.57)
SCHEMBL5798045 0.72 PPARA (0.57)
SCHEMBL8020309 0.72 POLB (0.46) SMN1; SMN2L3MBTL1MAPT
SCHEMBL8020305 0.72 POLB (0.46) SMN1; SMN2L3MBTL1MAPT
SCHEMBL13606734 0.72 KMT2A (0.42) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8721332 0.70 MAPT (0.44) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7922301 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ACYP1A2ALDH1A1

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