SCHEMBL28001097

SCHEMBL28001097

COCCOCCNS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.51
PKM P14618 3/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 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
SCHEMBL2493039 0.91 ALDH1A1 (0.70) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL8749823 0.84 ALDH1A1 (0.57) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL6290753 0.84 MAPK1 (0.71) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL15577722 0.84 ALDH1A1 (0.81) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL6566896 0.84 ALDH1A1 (0.81) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL20090510 0.82 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL15522663 0.82 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL5893566 0.76 POLB (0.69) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL8749752 0.76 GAA (0.69) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL8048430 0.76 ALDH1A1 (0.96) ALDH1A1LMNAHPGDKDM4EMAPT

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
CN-104345566-A Coloring composition, coloring immobilizing membrane and display element JSR CORP 2015-02-11 CN disclosed