SCHEMBL7226331

SCHEMBL7226331

COC(=O)c1ccc(OC)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 3/20 0.45
IAPP P10997 1/20 0.42
MAPT P10636 4/20 0.41
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL16174387 0.85 CYP1A2 (0.41) KDM4EL3MBTL1MAPK1IAPPMAPT
SCHEMBL7107317 0.84 CTSA (0.47) KDM4EL3MBTL1MAPK1IAPPMAPT
SCHEMBL7234015 0.83 KDM4E (0.68) KDM4EL3MBTL1MAPK1MAPTRAB9A
SCHEMBL31691241 0.81 IAPP (0.45) KDM4EL3MBTL1MAPK1IAPPMAPT
Hydrochloric Acid SCHEMBL7235077 0.81 KDM4E (0.66) KDM4EL3MBTL1MAPK1MAPTRAB9A
SCHEMBL7235075 0.81 KDM4E (0.47) KDM4EL3MBTL1CYP1A2NPC1CYP3A4
SCHEMBL5708926 0.81 NNMT (0.50) KDM4EL3MBTL1MAPK1CYP1A2GAA
SCHEMBL14918993 0.81 KDM4E (0.71) KDM4EL3MBTL1MAPK1MAPTCYP1A2
SCHEMBL7225724 0.80 MAPT (0.51) KDM4EL3MBTL1MAPK1MAPTCYP1A2
SCHEMBL4651223 0.80 MAPK1 (0.43) KDM4EMAPK1IAPPMAPTCYP1A2

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
US-6610853-B1 N-(phenylsulfonyl)picolinamide derivatives, process for producing the same, and herbicide KUREHA KAGAKU KOGYO K.K. (JP) 2003-08-26 US disclosed
EP-1069112-A1 N-(PHENYLSULFONYL) PICOLINAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed