SCHEMBL21186170

SCHEMBL21186170

COc1ccnc(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
CHRM4 P08173 5/20 0.47
GAA P10253 1/20 0.45
DUSP3 P51452 2/20 0.44
DYRK1A Q13627 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TMIGD3 P0DMS9 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL21186333 0.85 MAPT (0.39) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186172 0.84 NPC1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186164 0.83 RORC (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186000 0.83 KMT2A (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186166 0.82 NPC1 (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186147 0.80 NPC1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186146 0.79 NPC1 (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186013 0.79 RIPK1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186121 0.77 NPC1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21186165 0.77 NPC1 (0.64) NPC1RAB9AMAPTMEN1KMT2A

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