SCHEMBL8010668

SCHEMBL8010668

ClCc1cc(SCc2cccs2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
HSD17B10 Q99714 2/20 0.40
METAP2 P50579 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
KCNN1 Q92952 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
OPRK1 P41145 3/20 0.32

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
Hydrochloric Acid SCHEMBL8304611 0.99 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7999201 0.75 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8303692 0.74 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8307494 0.74 NOS2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8008596 0.69 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9018800 0.69 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8303622 0.69 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12670183 0.68 NOS3 (0.37) NPC1RAB9ASMN1; SMN2TSHRPOLB
SCHEMBL7999254 0.67 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8308210 0.66 CYP1A2 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107312-A BACTERICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-22 US disclosed
EP-0683776-B1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-07 EP disclosed
EP-0764160-A1 THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
US-5587389-A Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-12-24 US disclosed
WO-1995034553-A1 THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed
EP-0683776-A1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-11-29 EP disclosed
WO-1994019346-A1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-01 WO disclosed