SCHEMBL9101431

SCHEMBL9101431

CN1C(=O)c2cccnc2Sc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK10 P53779 1/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.52
TP53 P04637 3/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9101155 0.82 LMNA (0.65) LMNATHRBTP53MAPTPOLB
Bepiastine SCHEMBL29560445 0.79 LMNA (0.64) LMNATHRBTP53MAPTPOLB
Bepiastine SCHEMBL1815039 0.79 LMNA (0.64) LMNATHRBTP53MAPTPOLB
SCHEMBL14288794 0.79 MAOA (0.64) LMNAALDH1A1THRBTP53MAPT
SCHEMBL9832554 0.73 MAOA (0.55) LMNAALDH1A1TP53MAPTPOLB
SCHEMBL8790761 0.73 TTR (0.50) ALDH1A1HSD17B10
SCHEMBL9100460 0.73 ALDH1A1 (0.78) LMNAALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL11486350 0.72 ALDH1A1 (0.55) ALDH1A1
SCHEMBL5937266 0.72 ALDH1A1 (0.66) ALDH1A1MAPT
SCHEMBL9178250 0.70 ALDH1A1 (1.00) LMNAALDH1A1ALOX15MAPK10HSD17B10

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 3 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 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