SCHEMBL29043183

SCHEMBL29043183

[CH2]C(C)N(CC)NCCCN

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
CASP2 P42575 2/20 0.31
CA12 O43570 2/20 0.31
F13A1 P00488 2/20 0.31
CA2 P00918 2/20 0.31
CYP1A2 P05177 2/20 0.31
ALOX15 P16050 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
THPO P40225 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27474056 0.88
SCHEMBL29043163 0.79
SCHEMBL29043155 0.77
SCHEMBL28418031 0.76
SCHEMBL29043159 0.74
SCHEMBL29043190 0.72 TDP1 (0.33) TDP1
SCHEMBL27852691 0.71 CASP2 (0.41) TDP1CASP2CA12F13A1CA2
SCHEMBL29043162 0.67
SCHEMBL29043187 0.66 TDP1 (0.32) TDP1
SCHEMBL29043173 0.65

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
CN-116515023-A Composition and cured product 东京应化工业株式会社 2023-08-01 CN disclosed
CN-116514161-A Nanoparticle, nanoparticle dispersion liquid, and method for producing nanoparticle 东京应化工业株式会社 2023-08-01 CN disclosed