SCHEMBL16601712

SCHEMBL16601712

CC(C)(C)c1ccc(/N=C2/C(=O)c3ccc(-c4ccc(CO)cc4)cc3-c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 3/20 0.40
MPI P34949 2/20 0.40
PKM P14618 1/20 0.40
GALK1 P51570 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PTPRC P08575 3/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
S100A4 P26447 2/20 0.36
MDM2 Q00987 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL16601719 0.71 MAPT (0.46) MAPTALDH1A1MPIPKMGALK1
SCHEMBL11783403 0.68 MAPT (0.64) MAPTALDH1A1MPIPTPRCTDP1
SCHEMBL16601766 0.66 PTPRC (0.45) MAPTALDH1A1MPIPKMGALK1
SCHEMBL16601682 0.66 MEN1 (0.55) MAPTALDH1A1GALK1PTPRCHTT
SCHEMBL16601751 0.66 HSP90AA1 (0.47) MAPTALDH1A1MPIPKMGALK1
SCHEMBL27911360 0.65 CYP3A4 (0.50) MAPTALDH1A1PTPRCHTTLMNA
SCHEMBL2660487 0.65 NPBWR1 (0.54) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL821120 0.64 EPHX2 (0.56) LMNABCHEACHEHSP90AA1
SCHEMBL17208445 0.64 PTPRC (0.43) MAPTALDH1A1MPIPKMGALK1
SCHEMBL13184486 0.63 NPC1 (0.59) MAPTALDH1A1GALK1HTTLMNA

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed