SCHEMBL9101169

SCHEMBL9101169

Cc1ccc2c(c1)Sc1ncc(N)cc1C(=O)N2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NOX1 Q9Y5S8 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3C2G O75747 2/20 0.36
PIK3CG P48736 2/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL9103407 0.72 PIK3CD (0.38) NR1H2NR1H3MEN1KMT2APIK3CD
SCHEMBL19826819 0.72 MAPT (0.56) MEN1KMT2ANOX1ADRA2AADRA2B
SCHEMBL9100443 0.70 TP53 (0.30) MAPTTP53
SCHEMBL20923498 0.69 HCRTR1 (0.33) MEN1KMT2ANOX1ADRA2AADRA2B
SCHEMBL22779317 0.68 NOX1 (0.37) MEN1KMT2ANOX1ADRA2AADRA2B
SCHEMBL627550 0.67 MAOA (0.52) MEN1KMT2ANOX1ADRA2AADRA2B
SCHEMBL29392464 0.67 MAOA (0.52) MEN1KMT2ANOX1ADRA2AADRA2B
SCHEMBL9100834 0.67 TP53 (0.34) KMT2ALMNAMAPTTP53
SCHEMBL10205375 0.66 CA1 (0.50) NR1H2NR1H3MEN1KMT2APIK3CD
SCHEMBL19816451 0.65 NOX1 (0.68) NR1H2NR1H3MEN1KMT2ANOX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550122-A INHIBIT REVERSE TRANSCRIPTASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-08-27 US claimed
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP claimed
EP-0415303-A2 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP claimed
US-5550122-A INHIBIT REVERSE TRANSCRIPTASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP disclosed
EP-0415303-A2 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP disclosed