SCHEMBL8007308

SCHEMBL8007308

CO/N=C(/C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PARP1 P09874 1/20 0.47
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8007310 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9658191 0.82 CA12 (0.52) ALDH1A1PARP1NPC1RAB9AMAPT
SCHEMBL9658196 0.82 CA12 (0.52) ALDH1A1PARP1NPC1RAB9AMAPT
SCHEMBL8007984 0.81 TSHR (0.48) MEN1KMT2AALDH1A1CYP2C19NPC1
SCHEMBL3689392 0.81 TSHR (0.48) MEN1KMT2AALDH1A1CYP2C19NPC1
SCHEMBL3958996 0.81 TSHR (0.48) MEN1KMT2AALDH1A1CYP2C19NPC1
SCHEMBL8020213 0.81 PKM (0.50) MEN1KMT2AALDH1A1PARP1HPGD
SCHEMBL9661058 0.81 CES2 (0.59) MEN1KMT2AALDH1A1PARP1NPC1
SCHEMBL8020210 0.81 PKM (0.50) MEN1KMT2AALDH1A1PARP1HPGD
SCHEMBL9661064 0.81 CES2 (0.59) MEN1KMT2AALDH1A1PARP1NPC1

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
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed