SCHEMBL5776205

SCHEMBL5776205

c1ccc(Nc2cccc3cc4ccccc4cc23)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
MAPK10 P53779 4/20 0.61
GFER P55789 1/20 0.61
APAF1 O14727 1/20 0.49
TDP2 O95551 1/20 0.49
CDC25B P30305 1/20 0.49
CASP6 P55212 1/20 0.49
RCE1 Q9Y256 1/20 0.49
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL904435 0.84 KMT2A (0.68) KMT2AMEN1MAPK10GFERAPAF1
SCHEMBL5778360 0.81 KMT2A (0.49) KMT2AMEN1MAPK10NPC1RAB9A
SCHEMBL5770714 0.81 KMT2A (0.50) KMT2AMEN1MAPK10GFERAPAF1
SCHEMBL3972303 0.80 ALDH1A1 (0.58) KMT2AMEN1CDC25BKDM4ESMN1; SMN2
SCHEMBL31346513 0.80 ALDH1A1 (0.58) KMT2AMEN1CDC25BKDM4ESMN1; SMN2
SCHEMBL5772903 0.80 KMT2A (0.51) KMT2AMEN1MAPK10GFERAPAF1
SCHEMBL5773385 0.78 RIOK2 (0.48) KMT2AMEN1MAPK10GFERRCE1
SCHEMBL13367472 0.78 KMT2A (0.58) KMT2AMEN1MAPK10GFERAPAF1
SCHEMBL6542106 0.78 ALDH1A1 (0.56) KMT2AMEN1CDC25BKDM4ESMN1; SMN2
SCHEMBL3279571 0.78 MEN1 (1.00) KMT2AMEN1MAPK10GFERSMN1; SMN2

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