SCHEMBL5748816

SCHEMBL5748816

NC(=O)c1cccc2cc3ccc[c]c3cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 1/20 0.63
GAA P10253 1/20 0.63
PARP1 P09874 8/20 0.40
PDPK1 O15530 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 5/20 0.37
KDR P35968 5/20 0.37
MET P08581 4/20 0.37
TEK Q02763 4/20 0.37
AURKB Q96GD4 4/20 0.37
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 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
SCHEMBL5748948 0.94 KDM4E (0.63) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL5746207 0.78 KDM4E (0.44) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL29498815 0.78 KDM4E (1.00) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL30181949 0.78 KDM4E (1.00) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL634215 0.78 KDM4E (1.00) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL29100415 0.78 KDM4E (1.00) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL25192670 0.76 KDM4E (0.96) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL497724 0.76 KDM4E (0.96) KDM4EALDH1A1GAAPARP1PDPK1
Hydrochloric Acid SCHEMBL4811305 0.75 KDM4E (0.93) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL2251412 0.75 ALDH1A1 (0.42) KDM4EALDH1A1GAAPOLBSMN1; 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