SCHEMBL328796

SCHEMBL328796

NC(C(N)=C(O)c1ccccc1O)=C(O)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 4/20 0.56
MAPT P10636 4/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA14 Q9ULX7 2/20 0.52
HMGB1 P09429 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
LMNA P02545 3/20 0.43
ALOX15 P16050 3/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL2817419 0.79 HPGD (0.56) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL1357094 0.75 HPGD (0.52) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL21685 0.75 HPGD (0.52) HPGDKDM4EALDH1A1HSD17B10MAPT
Salicylamide SCHEMBL28133155 0.75 KDM4E (0.95) HPGDKDM4EALDH1A1HSD17B10MAPT
Salicylamide SCHEMBL27724027 0.73 KDM4E (0.91) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9641182 0.73 KDM4E (0.54) HPGDKDM4EALDH1A1HSD17B10MAPT
Salicylic Acid SCHEMBL1193531 0.73 ALDH1A1 (0.86) HPGDKDM4EALDH1A1HSD17B10MAPT
Salicylic Acid SCHEMBL1810677 0.73 ALDH1A1 (0.86) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL324637 0.73 HPGD (0.62) HPGDKDM4EALDH1A1HSD17B10MAPT
Salicylamide SCHEMBL21646 0.72 KDM4E (1.00) HPGDKDM4EALDH1A1HSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407164-A1 Copper II complexes of phenanthroline and their use in cancer treatment Dublin Institute of Technology Intellectual Property Ltd (IE) 2012-01-18 EP disclosed