SCHEMBL6378259

SCHEMBL6378259

COc1nnc(-c2ccccc2)cc1C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL6377412 0.79 CASP1 (0.37) SQORMEN1KMT2AMAPTTSHR
SCHEMBL17450753 0.77 MAPT (0.55) CNR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1753028 0.75 SQOR (0.40) SQORMEN1KMT2AMAPTTSHR
SCHEMBL581809 0.73 SMN1; SMN2 (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL1752806 0.73 SQOR (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL1751970 0.72 SQOR (0.38) SQORMAPTNPC1KDM4E
SCHEMBL581362 0.71 SMN1; SMN2 (0.51) SQORMEN1KMT2AMAPTTSHR
SCHEMBL4062873 0.71 SQOR (0.47) SQORMEN1KMT2AMAPTTSHR
SCHEMBL17450862 0.71 ALDH1A1 (0.39) CNR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17450878 0.70 MAPT (0.50) MEN1KMT2AMAPTTSHRATM

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-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed