SCHEMBL21186137

SCHEMBL21186137

COc1cc2nc(NC(=O)c3nccc(OC)c3OC(C)=O)sc2cc1Oc1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
PDE4B Q07343 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
AGTR1 P30556 1/20 0.42
OPRK1 P41145 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCD O00767 2/20 0.41
HCRTR1 O43613 1/20 0.41
LRRK2 Q5S007 1/20 0.40
CSNK1D P48730 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
SCHEMBL21186005 0.90 NPC1 (0.50) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186116 0.89 KMT2A (0.50) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186042 0.85 KMT2A (0.44) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL21186034 0.85 MAPK1 (0.51) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186177 0.82 MAPT (0.49) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186148 0.81 MAPT (0.46) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186138 0.81 NPC1 (0.48) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186251 0.81 NPC1 (0.57) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21186173 0.80 MET (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL21186050 0.80 NPC1 (0.47) MAPK1KMT2AMEN1NPC1RAB9A

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