SCHEMBL5012020

SCHEMBL5012020

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
PPARG P37231 2/20 0.46
NCOA2 Q15596 2/20 0.46
NCOA1 Q15788 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.44
CYP2C9 P11712 2/20 0.44
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13997139 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL5015379 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTTRAB9A
SCHEMBL5014187 0.84 HSD11B1 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL15082790 0.83 IL1R1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL445355 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL5012008 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL5014207 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL5012548 0.79 CYP2C9 (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL23665412 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG
SCHEMBL5010872 0.76 HSD11B1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDPPARG

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