SCHEMBL3265630

SCHEMBL3265630

CCOC(=O)C1=C(C)N(c2cccc3ccccc23)C(C)=C(C(=O)OCC)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 2/20 0.64
RECQL P46063 1/20 0.64
CASP3 P42574 2/20 0.53
CDC25B P30305 3/20 0.49
PKM P14618 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
AGTR1 P30556 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
ELANE P08246 1/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL30445585 0.74 ALDH1A1 (0.60) MAPTKDM4EKMT2AHTTCASP3
SCHEMBL4835948 0.73 CDC25B (0.51) MAPTKDM4ESMN1; SMN2KMT2ARECQL
SCHEMBL3328872 0.73 MAPT (0.50) MAPTKDM4ESMN1; SMN2KMT2AHTT
SCHEMBL3293555 0.72 KDM4E (0.51) MAPTKDM4ESMN1; SMN2KMT2AHTT
SCHEMBL11004551 0.72 MAPT (0.68) MAPTKDM4ESMN1; SMN2KMT2AHTT
SCHEMBL28680301 0.72 CASP3 (0.56) MAPTKDM4ESMN1; SMN2KMT2AHTT
SCHEMBL4745616 0.71 ALDH1A1 (0.76) MAPTKDM4ESMN1; SMN2KMT2AHTT
SCHEMBL277672 0.70 CDC25B (0.82) MAPTKDM4EKMT2ACDC25BALDH1A1
SCHEMBL28216149 0.70 KMT2A (0.52) MAPTKDM4ESMN1; SMN2KMT2ACDC25B
SCHEMBL6312871 0.69 ALDH1A1 (0.56) MAPTKDM4ESMN1; SMN2KMT2AHTT

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
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed