SCHEMBL2020983

SCHEMBL2020983

CCn1c(CO)nc2ccc(-c3ccccc3OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
MAPK1 P28482 1/20 0.50
PPARG P37231 3/20 0.44
ABL1 P00519 4/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
TSPO P30536 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 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
SCHEMBL2015354 0.80 PPARG (0.52) LMNAPPARGMAPTTSHRNPC1
SCHEMBL2020612 0.77 ACSS2 (0.56) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2015276 0.76 PPARG (0.49) PPARGMAPTTSHRGAA
Hydrochloric Acid SCHEMBL30281586 0.75 SMN1; SMN2 (0.44) PKMPPARGMAPTPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL29205499 0.75 SMN1; SMN2 (0.44) PKMPPARGMAPTPIK3R1PIK3CA
SCHEMBL2017366 0.73 POLB (0.64) LMNAPKMMAPK1MAPTTSHR
SCHEMBL12635705 0.72 TSPO (0.41) ABL1TSPO
SCHEMBL2018088 0.72 TNF (0.53) PKMMAPTTSHRNPC1RAB9A
SCHEMBL2019390 0.72 BACE1 (0.41) PPARGTSHRMAP4K4
SCHEMBL2013679 0.71 PPARG (0.45) LMNAPKMMAPK1PPARGTSHR

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed