SCHEMBL10810429

SCHEMBL10810429

C=CC(=O)NCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1OCCCCNC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 5/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 7/20 0.42
▸ GAA P10253 1/20 0.42
▸ APEX1 P27695 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL10808998 0.88 RAB9A (0.53) TGM2RAB9AMAPTGAAAPEX1
SCHEMBL10806510 0.86 RAB9A (0.44) TGM2RAB9AMAPTGAAAPEX1
SCHEMBL10808089 0.85 MAPT (0.43) TGM2RAB9AMAPTGAAAPEX1
SCHEMBL10811645 0.84 TGM2 (0.42) TGM2RAB9AMAPTGAAAPEX1
SCHEMBL10363305 0.82 RAB9A (0.52) TGM2RAB9AMAPTGAAMEN1
SCHEMBL10364150 0.81 RAB9A (0.51) TGM2RAB9AAPEX1ALDH1A1TDP1
SCHEMBL10364059 0.81 RAB9A (0.53) TGM2RAB9AMAPTGAAAPEX1
SCHEMBL10364064 0.81 RAB9A (0.68) TGM2RAB9AMAPTGAAMEN1
SCHEMBL10363741 0.81 RAB9A (0.50) TGM2RAB9AMAPTGAAAPEX1
SCHEMBL11081391 0.80 KMT2A (0.40) TGM2RAB9AMAPTGAAMEN1

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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