SCHEMBL5138458

SCHEMBL5138458

C=Cc1c(-c2ccccc2)c(-c2ccccc2)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
RECQL P46063 1/20 0.48
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
GPR84 Q9NQS5 6/20 0.43
ALOX5 P09917 2/20 0.42
LMNA P02545 1/20 0.40
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
CYP11B1 P15538 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL5947026 0.87 ESR1 (0.39) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL28582026 0.83 MEN1 (0.51) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL27763812 0.78 BACE1 (0.37) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL31756884 0.77 GPR84 (0.54) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL4780472 0.77 GPR84 (0.54) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL1237477 0.77 CES1 (0.41) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL2354609 0.77 ALDH1A1 (0.41) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL2494553 0.77 MEN1 (0.51) MEN1KMT2ARECQLKDM4EHPGD
SCHEMBL29948626 0.75 AMY1A (0.46) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL179766 0.75 AMY1A (0.46) MEN1KMT2AKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590375-A4 CATALYST SYSTEM FOR PREPARING STYRENE POLYMER AND METHOD FOR PREPARING OF STYRENE POLYMER USING THE SAME LG CHEMICAL LTD (KR) 2008-11-26 EP disclosed
EP-1590375-A1 CATALYST SYSTEM FOR PREPARING STYRENE POLYMER AND METHOD FOR PREPARING OF STYRENE POLYMER USING THE SAME LG Chem, Ltd. (KR) 2005-11-02 EP disclosed
WO-2004069880-A1 CATALYST SYSTEM FOR PREPARING STYRENE POLYMER AND METHOD FOR PREPARING OF STYRENE POLYMER USING THE SAME LG CHEM, LTD. (KR) 2004-08-19 WO disclosed