SCHEMBL11081391

SCHEMBL11081391

C=CC(=O)NCCCCOC(=O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1OCCCCNC(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CACNA1F O60840 5/20 0.35
▸ CACNA1D Q01668 5/20 0.35
▸ CACNA1S Q13698 5/20 0.35
▸ CACNA1C Q13936 5/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL10810429 0.80 TGM2 (0.46) KMT2AMEN1RAB9ATGM2POLB
SCHEMBL10808998 0.77 RAB9A (0.53) KMT2AMEN1RAB9ATGM2MAPT
SCHEMBL10364093 0.76 CHRNB2 (0.50) KMT2AMEN1TGM2MAPTALDH1A1
SCHEMBL11017564 0.75 TGM2 (0.44) TGM2ALDH1A1TDP1GAA
SCHEMBL10803116 0.75 TSHR (0.44) KMT2AMEN1TGM2MAPTALDH1A1
SCHEMBL10803048 0.75 KDM4E (0.46) KMT2ARAB9ATGM2ALDH1A1
SCHEMBL10808542 0.75 ITK (0.43) TGM2MAPTALDH1A1TDP1MAPK1
SCHEMBL10364150 0.75 RAB9A (0.51) RAB9ATGM2POLBALDH1A1TDP1
SCHEMBL10818366 0.74 TGM2 (0.50) KMT2AMEN1TGM2ALDH1A1TDP1
SCHEMBL10811645 0.74 TGM2 (0.42) KMT2AMEN1RAB9ATGM2POLB

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
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
Send feedback