SCHEMBL5012633

SCHEMBL5012633

Cc1ccc(-n2c(-c3ccc(C=Cc4ccccc4)cc3)ccc2-c2ccc(C=Cc3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
PTGS2 P35354 2/20 0.44
MAPT P10636 6/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NFE2L2 Q16236 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5012632 1.00 ALDH1A1 (0.45) ALDH1A1MAPK1GAASMN1; SMN2HPGD
SCHEMBL5010875 0.84 MAPK1 (0.59) ALDH1A1MAPK1GAASMN1; SMN2HPGD
SCHEMBL12980122 0.82 HTT (0.47) ALDH1A1MAPK1GAASMN1; SMN2HPGD
SCHEMBL13231751 0.82 PTGS2 (0.58) ALDH1A1MAPK1GAASMN1; SMN2PTGS2
SCHEMBL12103473 0.81 MAPK1 (0.53) ALDH1A1MAPK1GAASMN1; SMN2HPGD
SCHEMBL4585867 0.78 NFE2L2 (0.61) ALDH1A1HPGDPTGS2MAPTNFE2L2
SCHEMBL700269 0.78 NFE2L2 (0.61) ALDH1A1HPGDPTGS2MAPTNFE2L2
SCHEMBL1239547 0.78 NFE2L2 (0.61) ALDH1A1HPGDPTGS2MAPTNFE2L2
SCHEMBL4585865 0.78 NFE2L2 (0.61) ALDH1A1HPGDPTGS2MAPTNFE2L2
SCHEMBL7164327 0.78 NFE2L2 (0.61) ALDH1A1HPGDPTGS2MAPTNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed
US-6780950-B2 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-24 US disclosed
US-20040034189-A1 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-02-19 US disclosed
EP-1389626-A1 Aromatic copolymers of pyrroles and an electroluminescent element using the same Korea Institute of Science and Technology (KR) 2004-02-18 EP disclosed