SCHEMBL7823545

SCHEMBL7823545

CCOc1ccc2[nH]c(=O)c3nn[nH]c3c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HSD17B10 Q99714 6/20 0.51
MAPT P10636 2/20 0.51
ESR2 Q92731 1/20 0.51
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 1/20 0.49
PARP1 P09874 1/20 0.46
POLB P06746 3/20 0.44
GAA P10253 1/20 0.42
TTK P33981 1/20 0.41
NPC1 O15118 1/20 0.41
TYMS P04818 1/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7827211 0.90 HSD17B10 (0.51) KMT2AMEN1HSD17B10MAPTESR2
SCHEMBL9216251 0.87 PARP1 (0.49) KMT2AMEN1HSD17B10MAPTESR2
SCHEMBL7829950 0.86 DYRK1A (0.53) KMT2AMEN1HSD17B10MAPTKDM4E
SCHEMBL7827216 0.84 DYRK1A (0.42) KMT2AMEN1HSD17B10MAPTKDM4E
SCHEMBL7825768 0.84 MAOA (0.47) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL7831835 0.84 CTSV (0.40) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL7827951 0.81 DYRK1A (0.44) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL7816523 0.79 CHEK1 (0.51) KMT2AMEN1HSD17B10MAPTKDM4E
SCHEMBL7816177 0.78 SMN1; SMN2 (0.44) KMT2AMEN1HSD17B10MAPTKDM4E
SCHEMBL7826517 0.78 MAOA (0.52) HSD17B10MAPTESR2KDM4EALDH1A1

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