SCHEMBL7817404

SCHEMBL7817404

CC(=O)N(Cc1ccccc1)Cc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CFTR P13569 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTGES O14684 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL7828601 0.88 PARP1 (0.37) LMNAKDM4EHSD17B10PARP1ALDH1A1
SCHEMBL7823570 0.80 PARP1 (0.38) LMNAPARP1ALDH1A1CYP2C9CYP3A4
SCHEMBL7822908 0.79 KDM4E (0.38) LMNAKDM4EHSD17B10PARP1ALDH1A1
SCHEMBL7824009 0.79 PARP1 (0.46) LMNAKDM4EHSD17B10PARP1ALDH1A1
SCHEMBL7815301 0.78 KDM4E (0.42) KDM4EPARP1ALDH1A1MEN1KMT2A
SCHEMBL7825628 0.78 PTGES (0.46) KDM4EALDH1A1CYP2C9MEN1KMT2A
SCHEMBL7831864 0.76 KDM4E (0.40) KDM4EHSD17B10ALDH1A1CYP2C9PTGES
SCHEMBL7826505 0.76 PTGES (0.47) HSD17B10PARP1ALDH1A1CYP2C9MEN1
SCHEMBL8057842 0.75 KDM4E (0.35) LMNAKDM4EHSD17B10PARP1ALDH1A1
SCHEMBL7826265 0.75 CSNK2A1 (0.41) KDM4EPARP1KMT2ATP53

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
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed