SCHEMBL4599121

SCHEMBL4599121

O=C(Oc1cccc([N+](=O)[O-])c1)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPT P10636 2/20 0.65
EPHX1 P07099 1/20 0.62
KDM4E B2RXH2 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MGLL Q99685 1/20 0.59
RAB9A P51151 2/20 0.57
PHGDH O43175 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL1735252 0.84 ADORA2A (0.51) ALDH1A1MAPTMGLLRAB9ANPSR1
SCHEMBL1115881 0.83 CYP1A2 (0.64) KDM4EMGLLRAB9AMEN1KMT2A
SCHEMBL10458761 0.82 GAA (0.63) ALDH1A1MAPTL3MBTL1
SCHEMBL2635694 0.81 FKBP1A (0.66) ALDH1A1MAPTKDM4EMGLLRAB9A
SCHEMBL5651256 0.80 RAB9A (0.63) KDM4EHSD17B10MGLLRAB9APHGDH
SCHEMBL19306584 0.78 MEN1 (0.56) ALDH1A1MAPTKDM4EMGLLRAB9A
SCHEMBL29896187 0.78 MEN1 (0.56) ALDH1A1MAPTKDM4EMGLLRAB9A
SCHEMBL29896186 0.78 MEN1 (0.56) ALDH1A1MAPTKDM4EMGLLRAB9A
SCHEMBL28372646 0.78 EPHX1 (0.68) ALDH1A1EPHX1KDM4EHSD17B10RAB9A
SCHEMBL4598628 0.78 EPHX1 (0.68) EPHX1KDM4EHSD17B10RAB9AMEN1

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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
CN-118251382-A Catalytic hydrogenation of aromatic nitro compounds 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-105793430-B Process for the preparation of chiral 2-arylmorpholines 豪夫迈·罗氏有限公司 2020-03-03 CN disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed