SCHEMBL7822908

SCHEMBL7822908

CC(=O)CCc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
RECQL P46063 1/20 0.38
PTGES O14684 6/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 3/20 0.34
MAOA P21397 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC6A2 P23975 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL7831864 0.88 KDM4E (0.40) KDM4EPTGESCYP2C9SMN1; SMN2HPGD
SCHEMBL7826505 0.86 PTGES (0.47) PTGESCYP2C9MAOAHPGDTSHR
SCHEMBL7815301 0.83 KDM4E (0.42) KDM4EMAOAMAPTNPC1RAB9A
SCHEMBL7825628 0.83 PTGES (0.46) KDM4EPTGESCYP2C9MAOANPC1
SCHEMBL8068924 0.83 PARP1 (0.38) LMNATSHRALDH1A1HSD17B10PARP1
SCHEMBL7826259 0.82 PTGES (0.51) KDM4EPTGESCYP2C9MAPTNPC1
SCHEMBL8069100 0.80 NPY5R (0.35) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7826265 0.80 CSNK2A1 (0.41) KDM4EMAOATP53PARP1DYRK1A
SCHEMBL7828601 0.79 PARP1 (0.37) KDM4EPTGESCYP2C9LMNAHPGD
SCHEMBL7817404 0.79 LMNA (0.42) KDM4EPTGESCYP2C9LMNAMAPT

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed