SCHEMBL21186008

SCHEMBL21186008

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
HTT P42858 4/20 0.57
POLB P06746 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
KMT2A Q03164 5/20 0.53
OPRK1 P41145 3/20 0.53
PKM P14618 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
CSNK1D P48730 2/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
SCD O00767 3/20 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
SCHEMBL21186278 0.92 MAPT (0.55) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186001 0.92 MAPT (0.67) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186273 0.90 MAPT (0.57) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186117 0.87 MAPT (0.53) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186281 0.86 MAPT (0.55) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186178 0.84 RAB9A (0.72) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186280 0.83 NPC1 (0.54) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186175 0.83 DCLK1 (0.56) MAPTHTTPOLBKDM4EHPGD
SCHEMBL21186205 0.81 SCD (0.64) MAPTHTTPOLBKDM4EHPGD
SCHEMBL22130324 0.80 NPC1 (0.53) MAPTHTTPOLBKDM4ENPC1

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