SCHEMBL8790885

SCHEMBL8790885

CC(=O)On1nnnc1-c1sccc1N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK10 P53779 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
Hydrochloric Acid SCHEMBL8973456 0.99 ALDH1A1 (0.31) ALDH1A1NOS3NOS1NOS2
SCHEMBL8791633 0.86 CYP2A6 (0.38) ALDH1A1
SCHEMBL8790385 0.84 MAPK8 (0.31) ALDH1A1MAPK8MAPK10
SCHEMBL8791593 0.82 HSD11B1 (0.36) ALDH1A1MAPK8MAPK10
SCHEMBL8790106 0.80 ALDH1A1 (0.36) ALDH1A1MAPK8MAPK10
SCHEMBL8790825 0.79 PLA2G10 (0.35) ALDH1A1MAPK8MAPK10
SCHEMBL8791028 0.78 KMT2A (0.32) ALDH1A1
SCHEMBL8791208 0.77 MAPK8 (0.34) ALDH1A1MAPK8MAPK10
SCHEMBL8791602 0.76 L3MBTL1 (0.40) ALDH1A1
SCHEMBL8790766 0.76 KMT2A (0.48) ALDH1A1

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-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed