SCHEMBL5745519

SCHEMBL5745519

NC(=O)c1cccc2c[c]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ PARP1 P09874 5/20 0.44
▸ PDPK1 O15530 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ LTK P29376 1/20 0.40

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
SCHEMBL5749349 0.86 KDM4E (0.51) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL5665216 0.84 NR4A1 (0.60) KDM4EALDH1A1NR4A1NR4A2NR4A3
SCHEMBL5749898 0.82 KDM4E (0.71) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL5751282 0.82 KDM4E (0.71) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL8912256 0.79 HDAC8 (0.64) KDM4EALDH1A1GAAPOLBSMN1; SMN2
Water SCHEMBL3981101 0.79 KDM4E (0.66) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL5191012 0.78 KDM4E (0.46) KDM4EALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL43084 0.77 KDM4E (0.68) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL29381201 0.77 KDM4E (0.68) KDM4EALDH1A1GAAPARP1PDPK1
SCHEMBL18859029 0.75 KDM4E (0.66) KDM4EALDH1A1GAAPARP1PDPK1

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
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