SCHEMBL21186273

SCHEMBL21186273

O=C(Nc1nc2ccc(Oc3ccc(F)cc3)cc2s1)c1ncccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
SCD O00767 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
PKM P14618 2/20 0.55
OPRK1 P41145 2/20 0.55
AGTR1 P30556 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.51
LRRK2 Q5S007 1/20 0.50
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48

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
SCHEMBL21186281 0.92 MAPT (0.55) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186001 0.92 MAPT (0.67) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186008 0.90 MAPT (0.57) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186280 0.89 NPC1 (0.54) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186027 0.88 NPC1 (0.62) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186278 0.86 MAPT (0.55) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186117 0.85 MAPT (0.53) MAPTHTTKDM4EPOLBLMNA
SCHEMBL21186178 0.84 RAB9A (0.72) MAPTHTTKDM4EPOLBHPGD
SCHEMBL21186101 0.83 NPC1 (0.60) MAPTHTTKDM4EPOLBLMNA
SCHEMBL22130324 0.80 NPC1 (0.53) MAPTHTTKDM4EPOLBNPC1

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