SCHEMBL10018482

SCHEMBL10018482

CCC(C)c1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
BRD4 O60885 4/20 0.34
DGAT2 Q96PD7 4/20 0.33
MGAT2 Q10469 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CTSA P10619 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CMA1 P23946 2/20 0.30
MCL1 Q07820 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
SCHEMBL10018489 0.88 ADH5 (0.34) HTTALDH1A1MEN1KMT2AMCL1
SCHEMBL10018484 0.85 RXFP1 (0.37) HTTHDAC2ALDH1A1MEN1KMT2A
SCHEMBL16482337 0.82 RPS6KA3 (0.41) HTTALDH1A1MEN1KMT2ANCOA1
SCHEMBL10018491 0.81 HTR7 (0.37) HTTBRD4DGAT2MGAT2
SCHEMBL16482012 0.80 MEN1 (0.38) HTTALDH1A1MEN1KMT2A
SCHEMBL16482061 0.79 PRKCI (0.44) HTTMGAT2
SCHEMBL13098376 0.79 AOC3 (0.36) HTTALDH1A1
SCHEMBL10018488 0.78 CYP19A1 (0.33) HTTALDH1A1CMA1
SCHEMBL16482132 0.78 MGAT2 (0.52) DGAT2MGAT2
SCHEMBL5028258 0.77 CYP19A1 (0.38) ALDH1A1

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-8101699-B2 Electron-transporting polymers GENERAL ELECTRIC COMPANY (US) 2012-01-24 US disclosed
US-20100137538-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-03 US disclosed