SCHEMBL5014194

SCHEMBL5014194

C#Cc1ccc(-c2ccc(-c3ccc(C#C)cc3)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
PTGS1 P23219 2/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13231751 0.84 PTGS2 (0.58) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL5012551 0.81 ALDH1A1 (0.42) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL24261096 0.78 ALDH1A1 (0.46) ALDH1A1EGLN2HTTL3MBTL1
SCHEMBL5015445 0.77 PTGS2 (0.42) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL5012531 0.76 ALDH1A1 (0.52) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL5010856 0.76 MAPT (0.61) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL121302 0.76
SCHEMBL12103668 0.76 ALDH1A1 (0.52) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL5010875 0.75 MAPK1 (0.59) PTGS2MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL28998656 0.73 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1

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