SCHEMBL6865366

SCHEMBL6865366

Cc1c(SCc2ccco2)cc[n+]([O-])c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
PKM P14618 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 10/20 0.35
MAPT P10636 7/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8008921 0.68 PKM (0.43) TSHRPKMNPSR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9275506 0.68 TSHR (0.43) TSHRPKMNPSR1ALDH1A1MAPT
SCHEMBL2158372 0.67
Hydrochloric Acid SCHEMBL6867811 0.67 PKM (0.43) TSHRPKMNPSR1ALDH1A1MAPT
SCHEMBL8687335 0.66 CA2 (0.37)
SCHEMBL11749766 0.65 LMNA (0.53) TSHRNPSR1ALDH1A1MAPTKMT2A
SCHEMBL7012131 0.64 TSHR (0.40) TSHRPKMNPSR1ALDH1A1MAPT
SCHEMBL8917405 0.63 MAP2K7 (0.30)
SCHEMBL6129957 0.63 MAPT (0.44) TSHRPKMNPSR1ALDH1A1MAPT
SCHEMBL1357473 0.63

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-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
US-6107312-A BACTERICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-22 US disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed
US-5587389-A Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-12-24 US disclosed