SCHEMBL13449405

SCHEMBL13449405

CCCN/C=C/c1ccncc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ KDM6B O15054 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CYP2E1 P05181 2/20 0.31
▸ CYP2C8 P10632 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2A6 P11509 2/20 0.31
▸ CYP2B6 P20813 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13773302 0.74 HTT (0.40) SLC22A12HTTKDM4EALDH1A1NCOA3
SCHEMBL3828343 0.74 HTT (0.40) SLC22A12HTTKDM4EALDH1A1NCOA3
SCHEMBL2982328 0.74 HTT (0.40) SLC22A12HTTKDM4EALDH1A1NCOA3
SCHEMBL13415701 0.72 HTT (0.36) SLC22A12HTTHPGDKDM4EALDH1A1
SCHEMBL13694776 0.72 HTT (0.43) SLC22A12HTTHPGDKDM4EALDH1A1
SCHEMBL2978066 0.68 HTT (0.46) SLC22A12HTTALDH1A1NCOA3SMN1; SMN2
SCHEMBL29953048 0.68 HTT (0.46) SLC22A12HTTALDH1A1CLK1CYP2A6
SCHEMBL5671298 0.66 ALDH1A1 (0.45) HTTHPGDKDM4EALDH1A1LMNA
SCHEMBL6626248 0.65 CYP2E1 (0.59) SLC22A12HTTHPGDKDM4EALDH1A1
SCHEMBL3831521 0.65 PABPC1 (0.40) SLC22A12HTTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687155-B2 Comprises iridium complexes, coordination compounds; red phosphorescence; high efficiency CANON KABUSHIKI KAISHA (JP) 2010-03-30 — — US disclosed
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