SCHEMBL4063391

SCHEMBL4063391

Cc1c(C#N)c2ccc(O)c(C(C)(C)N)c2n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 6/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STAT3 P40763 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4066997 0.76 HTT (0.54) ALDH1A1KDM4EHTTPOLBKMT2A
SCHEMBL4066957 0.69 HTT (0.56) ALDH1A1KDM4EHTTHSD17B10POLB
SCHEMBL27835949 0.67 ALDH1A1 (0.55) ALDH1A1KDM4EHTTHSD17B10POLB
SCHEMBL4070310 0.67 HTT (0.61) ALDH1A1HTTPOLBLMNAMAPT
SCHEMBL4244216 0.66 MAPT (0.60) ALDH1A1KDM4EHTTPOLBLMNA
SCHEMBL1077415 0.62 ALDH1A1 (0.50) ALDH1A1KDM4EHTTHSD17B10POLB
SCHEMBL15426087 0.62 ALDH1A1 (0.70) ALDH1A1KDM4EHTTHSD17B10KMT2A
SCHEMBL4066328 0.62 HTT (0.56) ALDH1A1KDM4EHTTHSD17B10POLB
SCHEMBL11340384 0.61 ALDH1A1 (0.57) ALDH1A1KDM4EHTTHSD17B10POLB
SCHEMBL12670811 0.59 RORC (0.57) ALDH1A1KDM4EHTTPOLBKMT2A

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