SCHEMBL5010847

SCHEMBL5010847

COc1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 4/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL5014207 0.80 SMN1; SMN2 (0.47) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1
SCHEMBL13997263 0.78 HTT (0.54) HTTCYP2C9MAPK1SMN1; SMN2MDM4
SCHEMBL5012548 0.78 CYP2C9 (0.54) HTTCYP2C9MAPK1SMN1; SMN2MDM2
SCHEMBL15694845 0.76 HTT (0.59) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1
SCHEMBL13997137 0.75 HTT (0.55) HTTCYP2C9MAPK1SMN1; SMN2MDM4
SCHEMBL5010875 0.74 MAPK1 (0.59) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5012020 0.73 ALDH1A1 (0.46) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1
SCHEMBL12345589 0.72 HTT (0.59) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1
SCHEMBL14280209 0.72 HTT (0.55) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5605369 0.71 APP (0.64) HTTCYP2C9MAPK1SMN1; SMN2ALDH1A1

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