SCHEMBL7826265

SCHEMBL7826265

CC(=O)c1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.41
KIF11 P52732 1/20 0.40
PARP1 P09874 9/20 0.38
SLC2A1 P11166 1/20 0.37
DYRK1A Q13627 2/20 0.37
IMPDH2 P12268 1/20 0.36
MAOA P21397 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7817176 0.86 PARP1 (0.55) CSNK2A1KIF11PARP1DYRK1AKDM4E
SCHEMBL8073487 0.84 MAOA (0.55) KIF11MAOAKDM4EKMT2A
SCHEMBL7831634 0.81 GAA (0.42) KDM4EGAAKMT2A
SCHEMBL7827947 0.81 PTGES (0.43) KIF11PARP1KDM4EKMT2A
SCHEMBL7831194 0.81 MAPT (0.58) KDM4ETP53KMT2A
SCHEMBL7825719 0.81 CSNK2A1 (0.37) CSNK2A1KIF11PARP1DYRK1AIMPDH2
SCHEMBL7822903 0.80 IAPP (0.38) CSNK2A1MAOA
SCHEMBL7822908 0.80 KDM4E (0.38) PARP1DYRK1AMAOAKDM4ETP53
SCHEMBL7815301 0.79 KDM4E (0.42) PARP1IMPDH2MAOAKDM4EKMT2A
SCHEMBL7826811 0.79 ALDH1A1 (0.40) DYRK1AMAOAKDM4EGAAKMT2A

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