SCHEMBL10364076

SCHEMBL10364076

C=CC(=O)NCCCCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TGM2 P21980 8/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ JAK3 P52333 1/20 0.41
▸ ITK Q08881 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10805757 0.85 TGM2 (0.40) MAPTKMT2ATDP1LMNATGM2
SCHEMBL10363273 0.80 RAB9A (0.56) MAPTKMT2AMEN1LMNATGM2
SCHEMBL10806413 0.77 TGM2 (0.41) MAPTTDP1TGM2ALDH1A1KDM4E
SCHEMBL10363150 0.77 HDAC6 (0.50) MAPTKMT2AMEN1HPGDTGM2
SCHEMBL10364011 0.77 TGM2 (0.45) KMT2AMEN1TGM2ALDH1A1ITK
SCHEMBL10805912 0.76 ALDH1A1 (0.42) MAPTKMT2ATDP1TGM2ALDH1A1
SCHEMBL10806368 0.76 TGM2 (0.47) KMT2AHPGDTGM2ALDH1A1ITK
SCHEMBL11021174 0.76 ERN1 (0.44) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL10808157 0.76 TGM2 (0.41) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL10729530 0.76 CTSB (0.43) MAPTKMT2AMEN1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 — — EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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