SCHEMBL20125059

SCHEMBL20125059

CCc1cc2c(CC)cccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.60
DDO Q99489 1/20 0.60
PARP1 P09874 1/20 0.47
NPEPPS P55786 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
KIF11 P52732 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 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
SCHEMBL24446610 0.84 CTSV (0.46) DAODDOPARP1NPEPPSNR3C1
SCHEMBL14531557 0.81 DAO (0.60) DAODDOPARP1NPEPPSMAPT
SCHEMBL5769848 0.79 DAO (0.50) DAODDOPARP1NPEPPSKDM4E
SCHEMBL17345632 0.79 DAO (0.49) DAODDOPARP1MTNR1AMTNR1B
SCHEMBL23714709 0.79 PARP1 (0.42) DAODDOPARP1MAPTKDM4E
SCHEMBL5917425 0.79 DAO (0.49) DAODDOPARP1MTNR1AMTNR1B
SCHEMBL18586039 0.79 PARP1 (0.43) DAODDOPARP1NPEPPSMAPT
SCHEMBL29751638 0.78 HRH4 (0.49) DAODDOPARP1KDM4EMTNR1A
SCHEMBL19644194 0.78 PBRM1 (0.45) DAODDOPARP1MAPTKDM4E
SCHEMBL24453539 0.77 NR3C1 (0.45) DAODDOPARP1NR3C1PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed