SCHEMBL8913574

SCHEMBL8913574

Cc1ccc2nc(-c3ccccc3C(N)=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
NCK1 P16333 1/20 0.44
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
IKBKB O14920 1/20 0.43
PARP1 P09874 3/20 0.43
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ESR1 P03372 1/20 0.42
GRM2 Q14416 2/20 0.41
DPP4 P27487 1/20 0.40
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL8322442 0.87 KDM4E (0.55) ALDH1A1KDM4EHSD17B10CYP1A2MEN1
SCHEMBL8690724 0.84 SLC6A3 (0.53) ALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL8326990 0.84 RAB9A (0.53) ALDH1A1KDM4EHSD17B10CYP1A2MEN1
SCHEMBL28183385 0.83 IKBKB (0.47) ALDH1A1KDM4EHSD17B10IKBKBPARP1
SCHEMBL6257294 0.82 BCAT2 (0.53) BCAT2ALDH1A1KDM4EHSD17B10CSNK1A1
SCHEMBL31531876 0.82 BCAT2 (0.53) BCAT2ALDH1A1KDM4EHSD17B10CSNK1A1
SCHEMBL13298989 0.77 CYP1A2 (0.52) NCK1BACE1ALDH1A1KDM4ECYP1A2
SCHEMBL14269751 0.76 CLK1 (0.49) NCK1BACE1ALDH1A1KDM4EHSD17B10
SCHEMBL9255457 0.75 CYP1A2 (0.49) NCK1BACE1ALDH1A1KDM4ECYP1A2
SCHEMBL3529606 0.75 BCAT2 (0.51) BCAT2ALDH1A1KDM4EHSD17B10CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665881-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE, ANGIOTENSIN II ANTAGONIST THE GREEN CROSS CORPORATION (JP) 1997-09-09 US disclosed
EP-0569013-B1 Quinoline compounds as angiotensin II antagonists GREEN CROSS CORP (JP) 1996-08-28 EP disclosed
EP-0693478-A1 Quinoline compounds THE GREEN CROSS CORPORATION (JP) 1996-01-24 EP disclosed
US-5478832-A Angiotensin II antagonists; cardiovascular disorders THE GREEN CROSS CORPORATION (JP) 1995-12-26 US disclosed
EP-0569013-A1 Quinoline compounds as angiotensin II antagonists THE GREEN CROSS CORPORATION (JP) 1993-11-10 EP disclosed