SCHEMBL13415701

SCHEMBL13415701

CCN(C)/C=C/c1ccncc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ SLC22A12 Q96S37 4/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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 0.84 HTT (0.40) HTTSLC22A12NCOA3KDM4EALDH1A1
SCHEMBL2982328 0.84 HTT (0.40) HTTSLC22A12NCOA3KDM4EALDH1A1
SCHEMBL3828343 0.84 HTT (0.40) HTTSLC22A12NCOA3KDM4EALDH1A1
SCHEMBL1550435 0.75 HTT (0.40) HTTSLC22A12NCOA3KDM4EALDH1A1
SCHEMBL1550437 0.75 HTT (0.40) HTTSLC22A12NCOA3KDM4EALDH1A1
SCHEMBL30481365 0.75 HTT (0.40) HTTSLC22A12NCOA3KDM4EALDH1A1
SCHEMBL13694776 0.73 HTT (0.43) HTTSLC22A12CCNCCDK8NCOA3
SCHEMBL13449405 0.72 SLC22A12 (0.36) HTTSLC22A12CCNCCDK8NCOA3
SCHEMBL29953048 0.69 HTT (0.46) HTTSLC22A12NCOA3ALDH1A1CLK1
SCHEMBL2978066 0.69 HTT (0.46) HTTSLC22A12CYP11B2NCOA3ALDH1A1

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 2 patents. 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
US-20070212570-A1 Comprises iridium complexes, coordination compounds; red phosphorescence; high efficiency CANON KABUSHIKI KAISHA (JP) 2007-09-13 — — US disclosed
Send feedback