SCHEMBL8548185

SCHEMBL8548185

Nc1nc2ccc(C(O)c3ccncc3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 2/20 0.59
SCN4A P35499 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PIK3CD O00329 8/20 0.57
PIK3CA P42336 8/20 0.57
PIK3CG P48736 7/20 0.57
PI4KA P42356 7/20 0.57
PI4KB Q9UBF8 7/20 0.57
PIK3CB P42338 5/20 0.57
PIP5K1C O60331 3/20 0.57
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.47
AXL P30530 1/20 0.47
GFER P55789 1/20 0.47
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL21177823 0.87 RAB9A (0.60) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD
SCHEMBL8122351 0.78 RAB9A (0.76) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD
SCHEMBL9380475 0.78 PI4KA (0.54) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD
SCHEMBL1309315 0.74 RAB9A (1.00) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD
SCHEMBL25218319 0.73 PIK3CA (1.00) RAB9APIK3CDPIK3CAPIK3CGPI4KA
SCHEMBL31114545 0.73 PIK3CA (1.00) RAB9APIK3CDPIK3CAPIK3CGPI4KA
SCHEMBL18879306 0.72 RAB9A (0.76) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD
SCHEMBL27527540 0.72 RAB9A (0.69) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD
SCHEMBL8977488 0.72 RAB9A (0.60) RAB9ANPC1SCN4ASMN1; SMN2PIK3CA
SCHEMBL74053 0.71 RAB9A (0.68) RAB9ANPC1SCN4ASMN1; SMN2PIK3CD

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-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