SCHEMBL9399374

SCHEMBL9399374

OC[C@H]1O[C@@H](Nc2ccccc2N=Nc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
NPC1 O15118 2/20 0.71
SLC5A2 P31639 1/20 0.52
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
GRK6 P43250 2/20 0.44
TSHR P16473 1/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6675183 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL7153084 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL7150020 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL2573474 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL7151298 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL14478652 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL14353200 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL7152391 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL2573470 0.75 NPC1 (0.76) RAB9ANPC1SLC5A2TSHRCA1
SCHEMBL3290451 0.74 SLC5A2 (0.53) RAB9ANPC1SLC5A2GRK6TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362480-A Microbiocides LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-11-08 US disclosed
EP-0550099-A1 Oral hygiene compositions containing amino sugars as antiplaque agents UNILEVER N.V. (NL) 1993-07-07 EP disclosed