SCHEMBL4066957

SCHEMBL4066957

Cc1c(C#N)c2ccc(O)cc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.56
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
GFER P55789 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL4058664 0.89 HTT (0.56) HTTALDH1A1KDM4EGAAMAPT
SCHEMBL4794811 0.87 CLK1 (0.53) HTTALDH1A1KDM4EGAAMAPT
SCHEMBL4066605 0.84 CLK1 (0.60) HTTALDH1A1KDM4EGAAMAPT
SCHEMBL1077415 0.82 ALDH1A1 (0.50) HTTALDH1A1KDM4EGAAMAPT
SCHEMBL27835949 0.82 ALDH1A1 (0.55) HTTALDH1A1KDM4EGAAMAPT
SCHEMBL4066328 0.81 HTT (0.56) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL28107505 0.76 HTT (0.56) HTTALDH1A1KDM4EGAAMAPT
SCHEMBL23886821 0.75 POLB (0.47) HTTKDM4EGAAMAPTLMNA
SCHEMBL30176326 0.75 POLB (0.47) HTTKDM4EGAAMAPTLMNA
SCHEMBL4065608 0.72 HTT (1.00) HTTALDH1A1KDM4EGAAMAPT

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