SCHEMBL2479031

SCHEMBL2479031

Fc1c(OCc2ccccc2)ccc(I)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
LIPE Q05469 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
APP P05067 2/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL9698543 0.86 MAPK14 (0.48) KDM1AFFAR1MAPTMAPK1TDP1
SCHEMBL28420518 0.83 MAPK14 (0.48) FFAR1MAPTMAPK1TDP1L3MBTL1
SCHEMBL15968872 0.80 KDM1A (0.48) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL31166800 0.80 KDM1A (0.44) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL31114134 0.76 MAOB (0.55) FFAR1MRGPRX4
SCHEMBL31114193 0.76 MAPT (0.48) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL10266023 0.76 KDM1A (0.50) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL23887259 0.75 MAPK14 (0.44) KDM1AFFAR1MAPTMAPK1TDP1
SCHEMBL30176334 0.75 MAPK14 (0.44) KDM1AFFAR1MAPTMAPK1TDP1
SCHEMBL15129422 0.75 KDM1A (0.60) KDM1AFFAR1MAPTMAPK1TDP1

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-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP disclosed