SCHEMBL7824147

SCHEMBL7824147

COc1cc2c(=O)c3[nH]nnc3c(=O)[nH]c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GRIN2D O15399 4/20 0.39
GRIN3B O60391 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
GRIN2B Q13224 4/20 0.39
GRIN2C Q14957 4/20 0.39
GRIN3A Q8TCU5 4/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 1/20 0.38
PDE3B Q13370 7/20 0.37
PDE3A Q14432 7/20 0.37
NQO2 P16083 3/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DYRK1A Q13627 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
SCHEMBL1115295 0.93 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL7824882 0.87 GRIN2D (0.44) KDM4EALDH1A1HPGDGRIN2DGRIN3B
SCHEMBL8057885 0.85 ALDH1A1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL8057429 0.85 ALDH1A1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL8067979 0.82 DAO (0.39) KDM4EALDH1A1HPGDGRIN2DGRIN3B
SCHEMBL8067091 0.82 ULK1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL7829950 0.80 DYRK1A (0.53) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL8068038 0.80 CYP19A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL7826292 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8069105 0.79 POLB (0.42) KDM4EALDH1A1HPGDMAPTMEN1

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