SCHEMBL30002802

SCHEMBL30002802

Nc1ccc(O)c([N+](=O)[O-])c1.[Na]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.96
MAPK1 P28482 2/20 0.96
L3MBTL1 Q9Y468 2/20 0.96
HSD17B10 Q99714 1/20 0.96
CA12 O43570 4/20 0.65
CA1 P00915 4/20 0.65
CA2 P00918 4/20 0.65
CA9 Q16790 4/20 0.65
ALDH1A1 P00352 5/20 0.62
CYP3A4 P08684 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
TSHR P16473 3/20 0.60
GPR35 Q9HC97 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RECQL P46063 1/20 0.58
ALDH5A1 P51649 1/20 0.55
ABAT P80404 1/20 0.55
MAPT P10636 4/20 0.53

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
SCHEMBL29960275 0.98 ALOX15 (1.00) ALOX15MAPK1L3MBTL1HSD17B10CA12
SCHEMBL56850 0.98 ALOX15 (1.00) ALOX15MAPK1L3MBTL1HSD17B10CA12
SCHEMBL28683992 0.96 ALOX15 (0.96) ALOX15MAPK1L3MBTL1HSD17B10CA12
Hydrochloric Acid SCHEMBL30948365 0.96 ALOX15 (0.96) ALOX15MAPK1L3MBTL1HSD17B10CA12
2-Amino-4-Nitrophenol SCHEMBL8743077 0.85 ALOX15 (0.75) ALOX15MAPK1L3MBTL1HSD17B10CA12
SCHEMBL535242 0.83 ALOX15 (0.74) ALOX15MAPK1L3MBTL1HSD17B10CA12
SCHEMBL4625506 0.81 L3MBTL1 (0.69) ALOX15MAPK1L3MBTL1HSD17B10CA12
SCHEMBL1254184 0.79 TDP1 (0.72) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL1959737 0.78 CA2 (1.00) ALOX15MAPK1L3MBTL1HSD17B10CA12
2,4-Dinitrophenol SCHEMBL29352515 0.78 GPR35 (0.96) ALOX15MAPK1L3MBTL1HSD17B10CA12

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