SCHEMBL5774798

SCHEMBL5774798

CC(=O)c1c(Nc2ccccn2)ccc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPK10 P53779 2/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
CDC25B P30305 1/20 0.43
CASP6 P55212 1/20 0.43
RCE1 Q9Y256 1/20 0.43
NPC1 O15118 9/20 0.41
RAB9A P51151 9/20 0.41
MAPT P10636 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ACP1 P24666 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL5770714 0.80 KMT2A (0.50) KMT2AMEN1MAPK10GFERALDH1A1
SCHEMBL5770309 0.79 ALDH1A1 (0.43) KMT2AMEN1MAPK10GFERALDH1A1
SCHEMBL5776205 0.76 KMT2A (0.61) KMT2AMEN1MAPK10GFERALDH1A1
SCHEMBL5772903 0.72 KMT2A (0.51) KMT2AMEN1MAPK10GFERLMNA
SCHEMBL5775866 0.71 APAF1 (0.45) KMT2AMEN1MAPK10GFERALDH1A1
SCHEMBL5777050 0.71 APAF1 (0.45) KMT2AMEN1MAPK10ALDH1A1LMNA
SCHEMBL1666909 0.70 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5771998 0.69 KMT2A (0.47) KMT2AMEN1MAPK10GFERALDH1A1
SCHEMBL5774451 0.69 JAK2 (0.53) KMT2AMEN1MAPK10GFERALDH1A1
SCHEMBL5914015 0.69 KMT2A (0.55) KMT2AMEN1MAPK10GFERLMNA

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed