SCHEMBL7826672

SCHEMBL7826672

CC(C)Oc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ULK1 O75385 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
GAA P10253 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 1/20 0.35
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAOA P21397 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TLK2 Q86UE8 2/20 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
SCHEMBL7826292 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7827211 0.83 HSD17B10 (0.51) PARP15PARP10TNKS2PDE3BPDE3A
SCHEMBL8067091 0.82 ULK1 (0.34) ULK1PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7826811 0.81 ALDH1A1 (0.40) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL8058133 0.81 KMT2A (0.40) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL7828142 0.81 TBK1 (0.47) KDM4ELRRK2
SCHEMBL7826517 0.80 MAOA (0.52) KDM4EALDH1A1HPGDHSD17B10LRRK2
SCHEMBL7824709 0.80 PDE2A (0.41) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL7823420 0.80 DYRK1A (0.44) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL7827947 0.79 PTGES (0.43) KDM4EALDH1A1HSD17B10MEN1KMT2A

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