SCHEMBL4586175

SCHEMBL4586175

CCn1cc(CNCC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
GAA P10253 4/20 0.64
FOXO1 Q12778 1/20 0.50
HPGD P15428 5/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 4/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
BRD4 O60885 1/20 0.38
CYP2J2 P51589 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
HIF1A Q16665 1/20 0.38
USP2 O75604 1/20 0.37

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
Hydrochloric Acid SCHEMBL4587619 0.99 MEN1 (0.63) MEN1KMT2AGAAFOXO1HPGD
Hydrochloric Acid SCHEMBL27763903 0.88 KMT2A (0.59) MEN1KMT2AGAAFOXO1HPGD
Hydrochloric Acid SCHEMBL4588096 0.86 MEN1 (0.48) MEN1KMT2AGAAFOXO1HPGD
SCHEMBL261670 0.84 MEN1 (0.61) MEN1KMT2AGAAFOXO1HPGD
Hydrochloric Acid SCHEMBL261938 0.83 MEN1 (0.60) MEN1KMT2AGAAFOXO1HPGD
SCHEMBL4110428 0.83 MEN1 (0.79) MEN1KMT2AGAAFOXO1HPGD
SCHEMBL1243866 0.82 KMT2A (0.81) MEN1KMT2AGAAFOXO1HPGD
Hydrochloric Acid SCHEMBL27763904 0.81 MEN1 (0.60) MEN1KMT2AGAAFOXO1HPGD
SCHEMBL4587943 0.81 MEN1 (0.45) MEN1KMT2AGAAFOXO1HPGD
Oxalic Acid SCHEMBL4588543 0.80 MEN1 (0.43) MEN1KMT2AGAAFOXO1HPGD

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-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed