SCHEMBL11226469

SCHEMBL11226469

COc1cnn(-c2ccc(C=O)c(O)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.48
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
ERN1 O75460 10/20 0.38
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL11546359 0.84 KMT2A (0.40) TYRTRIM24TRIM33ALDH1A1NPC1
SCHEMBL11546993 0.77 ALDH1A1 (0.43) TYRTRIM24TRIM33ALDH1A1
SCHEMBL11231550 0.75 PIK3CD (0.49) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL11233325 0.75 PIK3CD (0.41) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL11232353 0.75 PIK3CD (0.51) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL11225553 0.73 P2RX7 (0.41) TRIM24TRIM33PIK3CDPIK3CAPIK3CB
SCHEMBL11548596 0.70 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ANPBWR1MCHR1
SCHEMBL11227408 0.69 PIK3CD (0.43) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL2017241 0.68 NPBWR1 (0.37) ALDH1A1NPC1RAB9ANPBWR1
SCHEMBL16797793 0.68 P2RX7 (0.49) ALDH1A1NPC1RAB9A

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
EP-0014344-B1 COUMARIN COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS WHITENERS AND LASER DYES BAYER AG (DE) 1982-04-21 EP disclosed
US-4326066-A Triazolyl coumarin compounds, processes for their preparation and their use as whiteners and laser dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
EP-0014344-A1 Coumarin compounds, process for their preparation and their use as whiteners and laser dyes BAYER AG (DE) 1980-08-20 EP disclosed