SCHEMBL2946753

SCHEMBL2946753

CCCCCCCCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
DHFR P00374 1/20 0.43
TLR8 Q9NR97 2/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
GSK3B P49841 1/20 0.40
ADORA1 P30542 1/20 0.40
GCGR P47871 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
SCHEMBL11297462 1.00 GPR84 (0.44) GPR84SMN1; SMN2MAPTTP53DHFR
SCHEMBL4814536 0.97 GPR84 (0.42) GPR84SMN1; SMN2MAPTTP53DHFR
SCHEMBL6618330 0.94 GSK3B (0.44) GPR84SMN1; SMN2MAPTTP53TLR8
Ammonia Solution, Strong SCHEMBL27564785 0.92 GSK3B (0.43) GPR84SMN1; SMN2MAPTTP53TLR8
Benzylamine SCHEMBL28750130 0.91 TLR8 (0.42) GPR84SMN1; SMN2MAPTTP53DHFR
SCHEMBL1917870 0.87 ADORA3 (0.50) SMN1; SMN2MAPTTP53TLR8NPC1
SCHEMBL27815847 0.86 HSD11B1 (0.50) GPR84MAPTTP53KCNH2ALDH1A1
SCHEMBL27835295 0.86 HSD11B1 (0.50) GPR84MAPTTP53KCNH2ALDH1A1
SCHEMBL1927324 0.84 MAOA (0.42) MAPTTLR8
Benzylamine SCHEMBL27571278 0.84 TLR8 (0.39) SMN1; SMN2TLR8HSD11B1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
CN-101228000-B Water-soluble preflux and use thereof SHIKOKU CHEM 2010-06-09 CN disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
CN-101228000-A Water-soluble preflux and use thereof SHIKOKU CHEM (JP) 2008-07-23 CN disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 EP disclosed