SCHEMBL9100099

SCHEMBL9100099

Cc1cc(C)c2c(c1)Oc1ncc(N)cc1C(=O)N2C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9097611 0.85 MAPT (0.36) POLBMAPT
SCHEMBL9101666 0.85 MAPT (0.34) POLBMAPT
SCHEMBL9103407 0.80 PIK3CD (0.38) POLBMAPTMEN1ALDH1A1KMT2A
SCHEMBL9098811 0.72 MAPT (0.32) POLBMAPTMEN1ALDH1A1KMT2A
SCHEMBL9100124 0.65 NR1H2 (0.40) POLBMAPTMEN1KMT2A
SCHEMBL19138410 0.62 ALPL (0.47) RAF1
SCHEMBL9101244 0.62 CASP1 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL25327651 0.61 ALDH1A1 (0.63) POLBMAPTMEN1ALDH1A1KMT2A
SCHEMBL19138494 0.61 ALPL (0.48) RAF1
SCHEMBL19138423 0.61 ALPL (0.48) RAF1

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 7 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-0451760-B1 Nitrato alkanoic acid derivatives and method for their production SANOL ARZNEI SCHWARZ GMBH (DE) 1995-09-13 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