SCHEMBL8697136

SCHEMBL8697136

Nc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.85
NPC1 O15118 12/20 0.85
MAPT P10636 9/20 0.85
MCL1 Q07820 1/20 0.85
ATM Q13315 1/20 0.85
MMP2 P08253 4/20 0.71
MMP9 P14780 4/20 0.71
MMP8 P22894 4/20 0.71
MMP13 P45452 4/20 0.71
GFER P55789 2/20 0.70
RXFP1 Q9HBX9 2/20 0.70
SMN1; SMN2 Q16637 7/20 0.67
ALDH1A1 P00352 5/20 0.63
TP53 P04637 3/20 0.63
KDM4E B2RXH2 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
SCHEMBL7908000 0.88 RAB9A (0.84) RAB9ANPC1MAPTMCL1ATM
SCHEMBL30002727 0.85 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL28686681 0.85 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL2488592 0.85 RAB9A (0.96) RAB9ANPC1MAPTMCL1ATM
SCHEMBL30296348 0.85 RAB9A (0.96) RAB9ANPC1MAPTMCL1ATM
SCHEMBL29404722 0.83 RAB9A (1.00) RAB9ANPC1MAPTMCL1ATM
SCHEMBL1852701 0.83 RAB9A (1.00) RAB9ANPC1MAPTMCL1ATM
SCHEMBL31696797 0.83 RAB9A (0.93) RAB9ANPC1MAPTMCL1ATM
SCHEMBL2244223 0.83 MMP2 (1.00) RAB9ANPC1MAPTMCL1ATM
2-Amino-4-Nitrophenol SCHEMBL8699208 0.83 RAB9A (0.75) RAB9ANPC1MAPTMCL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998024776-A1 PREPARATION OF AN AMINOARYLAMINOARAZOLE THE DOW CHEMICAL COMPANY (US) 1998-06-11 WO claimed
CN-119638632-A Nitro-imidazole and amino preparation method of benzimidazole compound 烟台海川化学制品有限公司 2025-03-18 CN disclosed
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
CN-113943262-A Preparation method of 2-aminobenzoxazole compound 烟台海川化学制品有限公司 2022-01-18 CN disclosed