SCHEMBL28046776

SCHEMBL28046776

Nc1nc2cc(-c3ccccn3)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
TP53 P04637 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 2/20 0.57
PIK3CA P42336 11/20 0.50
HSD17B10 Q99714 5/20 0.50
PIK3CD O00329 4/20 0.50
PIK3CG P48736 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
PI4KA P42356 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL12928169 0.84 PIK3CA (0.52) NPC1TP53RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12850681 0.80 LMNA (0.66) NPC1RAB9AL3MBTL1PIK3CAPIK3CD
SCHEMBL14097677 0.79 GAA (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1PIK3CA
SCHEMBL31119195 0.79 GAA (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1PIK3CA
Hydrochloric Acid SCHEMBL7229219 0.75 CCR1 (0.47) NPC1TP53RAB9ASMN1; SMN2L3MBTL1
SCHEMBL25244451 0.75 MAPT (0.47) NPC1TP53RAB9ASMN1; SMN2PIK3CA
SCHEMBL26023362 0.75 SMN1; SMN2 (0.68) NPC1TP53RAB9ASMN1; SMN2L3MBTL1
SCHEMBL28914009 0.74 NPC1 (0.59) NPC1TP53RAB9ASMN1; SMN2L3MBTL1
SCHEMBL30386364 0.74 NPC1 (0.59) NPC1TP53RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12928599 0.74 PIK3CG (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1PIK3CA

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
CN-105130973-B 5- pyridine radicals -2- amino-benzo [d] oxazole derivatives and its preparation method and application 海南国瑞堂中药制药有限公司 2018-05-01 CN disclosed
CN-105130973-A 5-Pyridyl-2-amino-benzo[d]oxazole derivatives, and preparation method and use thereof HAINAN GRTANG TRADITIONAL CHINESE MEDICINE PHARMACEUTICAL CO LTD 2015-12-09 CN disclosed
CN-105130973-A 5-Pyridyl-2-amino-benzo[d]oxazole derivatives, and preparation method and use thereof HAINAN GRTANG TRADITIONAL CHINESE MEDICINE PHARMACEUTICAL CO LTD 2015-12-09 CN disclosed