SCHEMBL4066328

SCHEMBL4066328

COc1ccc2c(C#N)c(C)n(-c3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.56
KDM4E B2RXH2 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 3/20 0.56
NCOA1 Q15788 2/20 0.56
NCOA3 Q9Y6Q9 2/20 0.56
PABPC1 P11940 1/20 0.56
CASP3 P42574 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.41
MAPK10 P53779 1/20 0.41
EDNRA P25101 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5577123 0.86 KDM4E (0.44) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4794811 0.85 CLK1 (0.53) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL28794894 0.82 HTT (0.43) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL10192294 0.82 CLK1 (0.43) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4066605 0.82 CLK1 (0.60) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4066957 0.81 HTT (0.56) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL27835949 0.79 ALDH1A1 (0.55) HTTKDM4EMAPTMAPK1LMNA
SCHEMBL4066826 0.79 HTT (0.49) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL10095267 0.78 EDNRA (0.48) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4066828 0.78 KDM4E (0.48) HTTKDM4EMAPTMEN1KMT2A

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
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed