SCHEMBL9515517

SCHEMBL9515517

CC(=O)Oc1ccc(NC(=O)C[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6825635 0.84 L3MBTL1 (0.61) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL3170705 0.81 MEN1 (0.50) HTTMAPTALDH1A1POLBKMT2A
SCHEMBL10965290 0.80 MAPT (0.58) HTTMAPTALDH1A1POLBKMT2A
SCHEMBL27530971 0.79 MEN1 (0.55) GAATSHRHSD17B10MAPTALDH1A1
SCHEMBL11629151 0.79 MAPT (0.50) HTTMAPTALDH1A1POLBKMT2A
SCHEMBL11630194 0.79 ALDH1A1 (0.50) HTTMAPTALDH1A1POLBKMT2A
SCHEMBL11022210 0.79 GAA (0.65) GAATSHRHTTHSD17B10MAPT
SCHEMBL1532371 0.79 POLB (0.63) GAAHTTMAPTALDH1A1POLB
SCHEMBL11839824 0.78 KMT2A (0.57) TSHRHTTMAPTALDH1A1POLB
SCHEMBL3483132 0.78 EPHX2 (0.59) HTTMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999130-B Preparation method of o-nitroanilide compound 湖北工业大学 2023-09-29 CN disclosed
CN-113999130-A Preparation method of o-nitroanilide compound 湖北工业大学 2022-02-01 CN disclosed
EP-0282294-B1 Vinylsilylalkoxy arylbenzotriazole compounds and UV absorbing compositions made therefrom IOLAB CORP (US) 1993-12-01 EP disclosed
US-4803254-A Vinylsilylalkoxy arylbenzotriazole compounds and UV absorbing compositions made therefrom IOLAB CORPORATION (US) 1989-02-07 US disclosed
EP-0282294-A2 Vinylsilylalkoxy arylbenzotriazole compounds and UV absorbing compositions made therefrom IOLAB CORPORATION (US) 1988-09-14 EP disclosed
US-3993768-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-11-23 US disclosed