SCHEMBL10811645

SCHEMBL10811645

C=CC(=O)NCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 5/20 0.42
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RRM1 P23921 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NQO2 P16083 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 0.84 TGM2 (0.46) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10808089 0.84 MAPT (0.43) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10804531 0.79 TGM2 (0.52) TGM2KMT2AALDH1A1GAAITK
SCHEMBL10806510 0.79 RAB9A (0.44) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10808998 0.77 RAB9A (0.53) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10364184 0.76 NCEH1 (0.49) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10362592 0.75 MAPT (0.55) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10364150 0.75 RAB9A (0.51) TGM2ALDH1A1POLBHTTRAB9A
SCHEMBL11081391 0.74 KMT2A (0.40) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL10363741 0.74 RAB9A (0.50) TGM2MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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