SCHEMBL21186221

SCHEMBL21186221

O=C(Nc1nc2ccc(Oc3ccccc3)nc2s1)c1ncccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 7/20 0.46
BTK Q06187 7/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
KDR P35968 3/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
EGLN1 Q9GZT9 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
SCHEMBL21186103 0.83 HCK (0.45) HCKBTKMAPTKDM4ELMNA
SCHEMBL21186001 0.81 MAPT (0.67) MAPTKDM4ELMNAPOLBHPGD
SCHEMBL21186108 0.77 MAPT (0.45) MAPTKDM4ELMNAPOLBHPGD
SCHEMBL21186274 0.76 MAPT (0.51) MAPTKDM4ELMNAPOLBHPGD
SCHEMBL23607120 0.75 TOP1 (0.61) KDM4ELMNAHPGDHTTNPC1
SCHEMBL23719992 0.74 ABL1 (0.43) MAPTKDM4ELMNAHPGDHTT
SCHEMBL31683921 0.74 ABL1 (0.43) MAPTKDM4ELMNAHPGDHTT
SCHEMBL21186162 0.73 MAPT (0.48) MAPTKDM4ELMNAPOLBHPGD
SCHEMBL21186008 0.73 MAPT (0.57) MAPTKDM4ELMNAPOLBHPGD
SCHEMBL21186273 0.73 MAPT (0.57) MAPTKDM4ELMNAPOLBHPGD

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed