SCHEMBL8977657

SCHEMBL8977657

CSC(=S)Nc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HPGD P15428 1/20 0.51
CTH P32929 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL805874 0.79 LMNA (0.57) HTTNPC1RAB9APKMKDM4E
SCHEMBL4399385 0.79 EPHX1 (0.52) HTTSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL15510403 0.79 MAPT (0.74) SMN1; SMN2PKMKDM4EALDH1A1MAPT
SCHEMBL4629048 0.79 RAB9A (0.54) SMN1; SMN2NPC1RAB9APKMKDM4E
SCHEMBL1286315 0.78 PHGDH (0.71) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL11186307 0.78 PKM (0.69) SMN1; SMN2NPC1RAB9APKMKDM4E
Iodide SCHEMBL2779572 0.77 RAB9A (0.53) SMN1; SMN2NPC1RAB9APKMKDM4E
Hydrochloric Acid SCHEMBL27651012 0.77 PHGDH (0.68) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL14031230 0.76 MAPT (0.61) PKMKDM4EALDH1A1MAPTHPGD
SCHEMBL11156215 0.76 ALDH1A1 (0.57) SMN1; SMN2NPC1PKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510344-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1996-04-23 US disclosed
EP-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed
EP-0378308-A1 Acrylate fungicides AgrEvo UK Limited (GB) 1990-07-18 EP disclosed
US-3992391-A PREVENTION AND TREATMENT OF HYPOXIA DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-11-16 US disclosed