SCHEMBL7005344

SCHEMBL7005344

Cc1c(SCCCCl)ccnc1CSc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 3/20 0.38
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.34
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33

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 SCHEMBL7010030 0.99 MAPK1 (0.38) MAPK1HSD17B10RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7005188 0.84 MAPT (0.36) HSD17B10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7007419 0.82 GRM2 (0.33) TSHRPARP14
SCHEMBL6865524 0.82 NPC1 (0.34) RAB9ANPC1HTTLMNA
Hydrochloric Acid SCHEMBL6867948 0.81 NPC1 (0.33) RAB9ANPC1HTTLMNA
SCHEMBL8805150 0.78 RAB9A (0.54) HSD17B10RAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7099731 0.78 ALDH1A1 (0.44) HSD17B10SMN1; SMN2KMT2AALDH1A1ALOX15
Hydrochloric Acid SCHEMBL8430958 0.77 RAB9A (0.53) HSD17B10RAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6869270 0.77 NPC1 (0.35) RAB9ANPC1HTTLMNA
SCHEMBL7807341 0.76 NPC1 (0.58) MAPK1HSD17B10RAB9ANPC1KMT2A

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 4 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
EP-0772593-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-05-14 EP disclosed
WO-1996002505-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 WO disclosed