SCHEMBL4606304

SCHEMBL4606304

C=Cc1ccc2ccccc2c1C=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
RRM1 P23921 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TSHR P16473 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CHAT P28329 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL992363 0.87 RELA (0.47) RELAKDM4ERAB9ANPC1LMNA
SCHEMBL992362 0.87 RELA (0.47) RELAKDM4ERAB9ANPC1LMNA
SCHEMBL10774372 0.86 RELA (0.46) RELAKDM4ERAB9ANPC1LMNA
SCHEMBL9658399 0.86 RELA (0.46) RELAKDM4ERAB9ANPC1LMNA
Lithium SCHEMBL9658251 0.86 RELA (0.46) RELAKDM4ERAB9ANPC1LMNA
Benzene SCHEMBL8512075 0.83 ALDH1A1 (0.44) KDM4ERAB9ANPC1LMNARRM1
SCHEMBL28846964 0.83 ERN1 (0.47) RELAKDM4ERAB9ANPC1LMNA
SCHEMBL6242001 0.83 ERN1 (0.47) RELAKDM4ERAB9ANPC1LMNA
SCHEMBL14149575 0.83 ERN1 (0.47) RELAKDM4ERAB9ANPC1LMNA
SCHEMBL56791 0.81 ALDH1A1 (0.46) KDM4ERRM1ALDH1A1MAPTHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741442-B2 Modified electrodes using functional organic materials and electronic devices therefrom GENERAL ELECTRIC COMPANY (US) 2014-06-03 US disclosed
EP-1875528-A1 MODIFIED ELECTRODES USING FUNCTIONAL ORGANIC MATERIALS AND ELECTRONIC DEVICES THEREFROM General Electric Company (US) 2008-01-09 EP disclosed
WO-2006113184-A1 MODIFIED ELECTRODES USING FUNCTIONAL ORGANIC MATERIALS AND ELECTRONIC DEVICES THEREFROM GENERAL ELECTRIC COMPANY (US) 2006-10-26 WO disclosed
US-20060234059-A1 Modified electrodes using functional organic materials and electronic devices therefrom GENERAL ELECTRIC COMPANY 2006-10-19 US disclosed
US-20060131567-A1 Surface modified electrodes and devices using reduced organic materials GENERAL ELECTRIC COMPANY 2006-06-22 US disclosed
US-20060131565-A1 Surface modified electrodes for electrooptic devices GENERAL ELECTRIC COMPANY 2006-06-22 US disclosed
EP-1672720-A2 Surface modified electrodes and devices using reduced organic materials The General Electric Company (US) 2006-06-21 EP disclosed