SCHEMBL5012008

SCHEMBL5012008

Cc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTT P42858 3/20 0.45
CYP2C9 P11712 3/20 0.45
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL23665412 0.94 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL12103552 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL25132692 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDRXFP1
SCHEMBL11910210 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRXFP1
SCHEMBL12103554 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL12103572 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL17911727 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL445355 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL5012020 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL23665402 0.82 CYP1A2 (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1

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