SCHEMBL7826959

SCHEMBL7826959

COC(=O)/C=C/c1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
APP P05067 1/20 0.41
PTPN1 P18031 1/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
P2RY12 Q9H244 2/20 0.38
FDPS P14324 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
SCHEMBL7826963 1.00 TTR (0.41) TTRAPPPTPN1EPHX2KDM4E
SCHEMBL7822903 0.88 IAPP (0.38) APPJAK2FDPSCCNB2CDK1
SCHEMBL7822589 0.84 F3 (0.48) ALDH1A1MAPTKMT2APADI4
SCHEMBL7828906 0.81 SRC (0.35) KDM4ESMN1; SMN2MAPTGAAKMT2A
SCHEMBL7815811 0.81 NPC1 (0.33) SMN1; SMN2MAPTKMT2APADI4HDAC3
SCHEMBL7815807 0.81 NPC1 (0.33) SMN1; SMN2MAPTKMT2APADI4HDAC3
SCHEMBL7829829 0.80 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7825038 0.80 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7825041 0.80 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7830758 0.79 MMP1 (0.48) KDM4EALDH1A1SMN1; SMN2MAPTGSK3B

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