SCHEMBL7012131

SCHEMBL7012131

Cc1c(SCc2ccco2)ccnc1CSc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 9/20 0.33
KMT2A Q03164 3/20 0.33
OPRK1 P41145 1/20 0.33
HPGD P15428 5/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8008921 0.82 PKM (0.43) TSHRPKMNPSR1RXFP1ALDH1A1
Hydrochloric Acid SCHEMBL9275506 0.82 TSHR (0.43) TSHRPKMNPSR1RXFP1ALDH1A1
SCHEMBL7011260 0.81 NPSR1 (0.40) TSHRPKMNPSR1RXFP1ALDH1A1
Hydrochloric Acid SCHEMBL6867811 0.81 PKM (0.43) TSHRPKMNPSR1RXFP1ALDH1A1
SCHEMBL7007914 0.78 GRM2 (0.37) TSHRPKMALDH1A1LMNAKDM4E
SCHEMBL7007419 0.75 GRM2 (0.33) TSHRPKM
SCHEMBL8008219 0.75 RAB9A (0.56) NPSR1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8008533 0.75 ALDH1A1 (0.53) TSHRPKMNPSR1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8308547 0.74 RAB9A (0.55) NPSR1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8008406 0.74 LMNA (0.38) TSHRPKMALDH1A1KMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772593-B1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2003-05-02 EP disclosed
US-6162809-A Pyridylthio compounds for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-19 US disclosed
WO-1996002505-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 WO disclosed