SCHEMBL4242839

SCHEMBL4242839

COc1ccc(-n2c(C)c(C#N)c3cc(Br)c(O)c(Br)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESRRA P11474 1/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4056293 0.80 CLK1 (0.43) MEN1KMT2AHTTALDH1A1MAOA
SCHEMBL4066605 0.73 CLK1 (0.60) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL10192294 0.73 CLK1 (0.43) MEN1KMT2AHTTALDH1A1MAOA
SCHEMBL9339385 0.71 KMT2A (0.41) MEN1KMT2AHTTALDH1A1MAOA
SCHEMBL4794811 0.70 CLK1 (0.53) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL15004754 0.66 MEN1 (0.47) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL11584329 0.66 LMNA (0.56) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL17735499 0.65 NPC1 (0.62) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4066328 0.65 HTT (0.56) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL23886831 0.65 ESR1 (0.34) NPSR1KDM4EESRRAESR2TSHR

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
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed