SCHEMBL2944010

SCHEMBL2944010

c1ccc(CSCCc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.75
RAB9A P51151 4/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
BCHE P06276 1/20 0.61
GAA P10253 1/20 0.59
POLB P06746 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.55
AR P10275 2/20 0.54
CHRM1 P11229 1/20 0.54
PDE10A Q9Y233 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL3069740 0.87 POLB (0.70) NPC1RAB9ASMN1; SMN2BCHEGAA
SCHEMBL32660142 0.80 POLB (0.70) NPC1RAB9ASMN1; SMN2BCHEGAA
SCHEMBL30583066 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL784574 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL3084593 0.80 POLB (0.70) NPC1RAB9ASMN1; SMN2BCHEGAA
SCHEMBL230157 0.78 POLB (0.84) NPC1RAB9ABCHEGAAPOLB
SCHEMBL24998858 0.78 POLB (0.66) NPC1RAB9ASMN1; SMN2BCHEGAA
SCHEMBL19049356 0.78 POLB (0.66) NPC1RAB9ABCHEGAAPOLB
SCHEMBL6753967 0.78 POLB (0.83) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL6753946 0.78 NPC1 (0.81) NPC1RAB9ASMN1; SMN2GAAPOLB

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