SCHEMBL21186147

SCHEMBL21186147

Cc1ccc2sc(NC(=O)c3ncccc3O)nc2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 8/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
LMNA P02545 4/20 0.51
TP53 P04637 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.48
DYRK1A Q13627 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 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
SCHEMBL21186002 0.87 KMT2A (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186199 0.83 NPC1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186170 0.80 NPC1 (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186198 0.79 NPC1 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL23607120 0.77 TOP1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21186171 0.74 NPC1 (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL22130324 0.72 NPC1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31219257 0.72 NPC1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186162 0.71 MAPT (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21186275 0.70 PIK3CG (0.62) 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