SCHEMBL30002727

SCHEMBL30002727

Nc1ccc2oc(-c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.70
NPC1 O15118 13/20 0.70
MAPT P10636 10/20 0.70
MCL1 Q07820 1/20 0.70
ATM Q13315 1/20 0.70
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
SMN1; SMN2 Q16637 9/20 0.66
KDM4E B2RXH2 5/20 0.62
TP53 P04637 2/20 0.62
HSD17B10 Q99714 2/20 0.62
GAA P10253 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
GFER P55789 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ELANE P08246 1/20 0.57
ALDH1A1 P00352 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NFKB1 P19838 2/20 0.55

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
SCHEMBL28686681 1.00 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL7921287 0.89 RAB9A (0.82) RAB9ANPC1MAPTMCL1ATM
SCHEMBL8697136 0.85 RAB9A (0.85) RAB9ANPC1MAPTMCL1ATM
SCHEMBL4512191 0.85 RAB9A (0.67) RAB9ANPC1MAPTMCL1ATM
SCHEMBL4508204 0.85 RAB9A (0.81) RAB9ANPC1MAPTMCL1ATM
SCHEMBL6686868 0.85 RAB9A (0.74) RAB9ANPC1MAPTMCL1ATM
SCHEMBL29531637 0.85 RAB9A (0.67) RAB9ANPC1MAPTMCL1ATM
SCHEMBL6682494 0.85 RAB9A (0.67) RAB9ANPC1MAPTMCL1ATM
SCHEMBL2491306 0.84 MMP2 (0.72) RAB9ANPC1MAPTMCL1ATM
SCHEMBL16424109 0.83 NPC1 (0.80) RAB9ANPC1MAPTKMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943262-B Preparation method of 2-aminobenzoxazole compound 烟台海川化学制品有限公司 2022-10-14 CN disclosed