SCHEMBL8548182

SCHEMBL8548182

Nc1nc2c(Cc3ccccn3)cc(O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
PDPK1 O15530 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PNP P00491 1/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CG P48736 3/20 0.39
PI4KA P42356 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIK3CA P42336 2/20 0.39
ASIC3 Q9UHC3 1/20 0.39
NSD1 Q96L73 1/20 0.38
CYP2C19 P33261 1/20 0.37
MBOAT4 Q96T53 1/20 0.37
PIP5K1C O60331 1/20 0.35
CYP3A4 P08684 2/20 0.34
PIK3CB P42338 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL21638261 0.87 ASIC3 (0.46) DRD2KCNH2L3MBTL1PDPK1PNP
SCHEMBL8548188 0.77 RAB9A (0.51) DRD2L3MBTL1PDPK1GAAHTT
SCHEMBL3944486 0.73 NSD1 (0.46) L3MBTL1PDPK1GAAHTTPIK3CD
SCHEMBL9376802 0.71 DRD2 (0.41) DRD2KCNH2L3MBTL1GAAPIK3CD
SCHEMBL21638278 0.70 PI4KA (0.40) DRD2KCNH2PDPK1PIK3CDPIK3CG
SCHEMBL9375983 0.69 RAB9A (0.62) DRD2KCNH2L3MBTL1GAAHTT
SCHEMBL8546939 0.68 MAPT (0.47) L3MBTL1GAAHTTCYP3A4ALDH1A1
SCHEMBL8358033 0.67 MAPT (0.52) L3MBTL1GAAHTTALDH1A1HSD17B10
SCHEMBL9376415 0.66 CYP3A4 (0.48) DRD2KCNH2L3MBTL1CYP2C19CYP3A4
SCHEMBL30576433 0.65 ALOX5 (0.56) L3MBTL1GAAHTTALDH1A1

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
JP-7048371-A None JP disclosed
EP-0704435-B1 PROCESS FOR PRODUCING HYDROQUINONE AND BENZOQUINONE DERIVATIVE EISAI CO LTD (JP) 1998-06-24 EP disclosed
US-5637716-A Processes for the preparation of hydroquinone and benzoquinone derivatives EISAI CO., LTD. (JP) 1997-06-10 US disclosed
EP-0704435-A1 PROCESS FOR PRODUCING HYDROQUINONE AND BENZOQUINONE DERIVATIVE Eisai Co., Ltd. (JP) 1996-04-03 EP disclosed
JP-H0748371-A PRODUCTION OF 2-AMINO-4-PYRIDYLMETHYL-6 HYDROXYBENZOTHIAZOLE DERIVATIVE EISAI CO LTD 1995-02-21 JP disclosed