SCHEMBL21186121

SCHEMBL21186121

COc1ccnc(C(=O)Nc2nc3c(Br)cc(Oc4ccccc4C)cc3s2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
DUSP3 P51452 2/20 0.41
CHRM4 P08173 1/20 0.41
KLF5 Q13887 1/20 0.40
SCD O00767 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
SCHEMBL21186134 0.86 MET (0.54) NPC1RAB9APKMKMT2AKDM4E
SCHEMBL21186013 0.85 RIPK1 (0.44) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL21186164 0.82 RORC (0.46) NPC1RAB9APKMKMT2AKDM4E
SCHEMBL21186184 0.82 SCD (0.42) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL21186405 0.81 NPC1 (0.46) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL21186000 0.80 KMT2A (0.42) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL21186172 0.80 NPC1 (0.55) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL21186154 0.79 MET (0.56) NPC1RAB9APKMKMT2AMEN1
SCHEMBL21186035 0.79 CHRM4 (0.49) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL25500945 0.79 KDM4E (0.45) NPC1RAB9APKMPAX8L3MBTL1

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