SCHEMBL4066828

SCHEMBL4066828

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HTT P42858 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
NCOA1 Q15788 2/20 0.48
NCOA3 Q9Y6Q9 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
PABPC1 P11940 1/20 0.48
CASP3 P42574 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.45
MAPK8 P45983 6/20 0.38
HPGD P15428 2/20 0.38
EDNRA P25101 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK10 P53779 1/20 0.35

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 0.95 KDM4E (0.44) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL4066328 0.78 HTT (0.56) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL4066826 0.72 HTT (0.49) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL12387074 0.70 MAPT (0.42) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL25613235 0.68 KDM4E (0.60) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL4067600 0.67 MAPT (0.39) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL10165569 0.67 EDNRA (0.50) KDM4EHTTMAPTMAPK1NCOA1
SCHEMBL13053712 0.66 TDP1 (0.50) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL31484565 0.66 KDM4E (0.56) KDM4EHTTMAPTTDP1MAPK1
SCHEMBL4794811 0.66 CLK1 (0.53) KDM4EHTTMAPTTDP1MAPK1

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