SCHEMBL8008545

SCHEMBL8008545

Cc1sccc1NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
PTK2 Q05397 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK8 P45983 2/20 0.31
MAPK10 P53779 1/20 0.31
PLA2G10 O15496 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
ATM Q13315 1/20 0.30
NAMPT P43490 1/20 0.30
ABCC1 P33527 1/20 0.30

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
SCHEMBL14868498 0.85 PKM (0.33) PKMPTK2ALDH1A1GAA
SCHEMBL10745860 0.80 PKM (0.42) PKMPTK2ALDH1A1MEN1KMT2A
SCHEMBL8008542 0.76 MEN1 (0.31) PTK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7999016 0.76 SMN1; SMN2 (0.33) PKMPTK2SMN1; SMN2
SCHEMBL20824909 0.73 HPGD (0.37) PKMPTK2ALDH1A1MEN1KMT2A
SCHEMBL13617121 0.73 HPGD (0.48) PKMPTK2ALDH1A1MEN1KMT2A
SCHEMBL14868564 0.72 ALDH1A1 (0.31) ALDH1A1MEN1KMT2ANPC1GAA
SCHEMBL7999019 0.72 MAPK8 (0.32) PKMMAPK8MAPK10
SCHEMBL2000603 0.72
Hydrochloric Acid SCHEMBL9457659 0.70

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-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-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO 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