SCHEMBL4555932

SCHEMBL4555932

CCc1ccc(Oc2ccc(NN(C(=O)O)c3ccc(Oc4ccc(CC)cc4OC)c(F)c3)cc2F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ATM Q13315 1/20 0.43
AURKA O14965 2/20 0.41
AXL P30530 2/20 0.41
DDR1 Q08345 2/20 0.41
AURKB Q96GD4 2/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STK10 O94804 1/20 0.40
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
KIT P10721 1/20 0.40
CDK11B P21127 1/20 0.40
FLT3 P36888 1/20 0.40
BLK P51451 1/20 0.40
TYRO3 Q06418 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
SCHEMBL3198213 0.81 HTT (0.42) KMT2AMEN1ACHEBCHELMNA
SCHEMBL13486187 0.76 ALDH1A1 (0.52) KMT2AMEN1AURKAAXLDDR1
SCHEMBL3209155 0.76 ALDH1A1 (0.43) KMT2AAURKAAXLDDR1AURKB
SCHEMBL3200212 0.75 ALDH1A1 (0.42) KMT2AAURKAAXLDDR1AURKB
SCHEMBL3211788 0.74 KMT2A (0.51) KMT2AMEN1ATMLMNAHTT
SCHEMBL3198331 0.73 HTT (0.45) KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3209730 0.73 LMNA (0.49) KMT2AACHELMNAHTTSMN1; SMN2
SCHEMBL3198917 0.72 CALM1 (0.45) ATMLDHA
SCHEMBL3214638 0.72 MAPK1 (0.53) KMT2ALMNAHTTSMN1; SMN2LDHA
SCHEMBL27936118 0.72 SMN1; SMN2 (0.54) KMT2AMEN1LMNAHTTSMN1; SMN2

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-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed