SCHEMBL9577809

SCHEMBL9577809

Oc1ccccc1NCCNc1ccccc1O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
THRB P10828 2/20 0.55
ALOX12 P18054 1/20 0.55
CA12 O43570 4/20 0.50
CA2 P00918 4/20 0.50
HTT P42858 4/20 0.50
CA9 Q16790 2/20 0.50
IDO1 P14902 4/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 2/20 0.43
HIF1A Q16665 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
BLM P54132 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 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
SCHEMBL28927027 0.98 MAPT (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13736441 0.97 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2204571 0.86 KDM4E (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL29786178 0.85 KDM4E (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7838711 0.84 KDM4E (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1404068 0.84 MAPT (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1955931 0.84 IDO1 (0.61) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8751587 0.84 MAPT (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1471292 0.84 IDO1 (0.61) MAPTKDM4EALDH1A1MEN1KMT2A
Bromide SCHEMBL11698450 0.83 ALOX15 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A

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
EP-0334630-B1 Iron chelate composition PHOSYN PLC (GB) 1993-11-18 EP disclosed
US-5152820-A Increasing iron concentration of soils PHOSYN PLC. (GB) 1992-10-06 US disclosed