SCHEMBL21186178

SCHEMBL21186178

CCOc1ccc2nc(NC(=O)c3ncccc3O)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.72
NPC1 O15118 10/20 0.72
MAPT P10636 8/20 0.72
KMT2A Q03164 4/20 0.72
PKM P14618 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
OPRK1 P41145 1/20 0.72
SMN1; SMN2 Q16637 9/20 0.69
TP53 P04637 6/20 0.69
KDM4E B2RXH2 2/20 0.64
GLA P06280 1/20 0.64
HSD17B10 Q99714 3/20 0.62
MEN1 O00255 3/20 0.61
POLB P06746 2/20 0.61
USP2 O75604 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 2/20 0.61
MAPK1 P28482 2/20 0.61
GAA P10253 2/20 0.60

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
SCHEMBL21186205 0.87 SCD (0.64) RAB9ANPC1MAPTKMT2APKM
SCHEMBL21186001 0.85 MAPT (0.67) RAB9ANPC1MAPTKMT2APKM
SCHEMBL21186273 0.84 MAPT (0.57) RAB9ANPC1MAPTKMT2APKM
SCHEMBL21186008 0.84 MAPT (0.57) RAB9ANPC1MAPTKMT2APKM
SCHEMBL21186163 0.83 NPC1 (0.63) RAB9ANPC1MAPTKMT2APKM
SCHEMBL21186278 0.82 MAPT (0.55) RAB9ANPC1MAPTKMT2APKM
SCHEMBL21186281 0.82 MAPT (0.55) RAB9ANPC1MAPTKMT2APKM
SCHEMBL31219257 0.81 NPC1 (0.53) RAB9ANPC1MAPTKMT2APKM
SCHEMBL22130324 0.81 NPC1 (0.53) RAB9ANPC1MAPTKMT2APKM
SCHEMBL2247099 0.81 MAPT (1.00) RAB9ANPC1MAPTKMT2APKM

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