SCHEMBL7827951

SCHEMBL7827951

COc1ccc(C(=O)COc2ccc3[nH]c(=O)c4nn[nH]c4c(=O)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CPT1A P50416 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL7816507 0.92 POLB (0.45) DYRK1APOLBMAPTALDH1A1KDM4E
SCHEMBL8069105 0.89 POLB (0.42) DYRK1APOLBMAPTALDH1A1KDM4E
SCHEMBL7827216 0.86 DYRK1A (0.42) DYRK1AMAPTALDH1A1KDM4EGSK3A
SCHEMBL7816177 0.85 SMN1; SMN2 (0.44) DYRK1AMAPTALDH1A1KDM4EGSK3A
SCHEMBL7829950 0.84 DYRK1A (0.53) DYRK1APOLBMAPTALDH1A1KDM4E
SCHEMBL7826727 0.82 CA12 (0.42) POLBMAPTALDH1A1KDM4ELMNA
SCHEMBL7823545 0.81 KMT2A (0.52) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL9216251 0.80 PARP1 (0.49) DYRK1AMAPTALDH1A1KDM4EHPGD
SCHEMBL7823420 0.78 DYRK1A (0.44) DYRK1AMAPTALDH1A1KDM4EHPGD
SCHEMBL7831004 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1KDM4ELMNAL3MBTL1

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