SCHEMBL9563802

SCHEMBL9563802

O=C(O)CCSc1csnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.50
ALDH1A1 P00352 5/20 0.47
PRNP P04156 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
MAPK10 P53779 2/20 0.44
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
KMT2A Q03164 2/20 0.35

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
SCHEMBL9019297 0.81 KDM4E (0.41) APEX1ALDH1A1PRNPNPSR1RXFP1
SCHEMBL9534233 0.75 PKM (0.37) ALDH1A1NPSR1GAATSHRKDM4E
SCHEMBL4494363 0.72 KEAP1 (0.38) APEX1ALDH1A1NPSR1KMT2AMAPT
SCHEMBL23123478 0.71 APEX1 (0.40) APEX1ALDH1A1NPSR1HSD17B10TSHR
SCHEMBL4636124 0.71
SCHEMBL7805089 0.69
SCHEMBL9564037 0.69
SCHEMBL9222521 0.68
SCHEMBL16588896 0.68 ALDH1A1 (0.47) APEX1ALDH1A1PRNPNPSR1RXFP1
SCHEMBL8441393 0.67 APEX1 (1.00) APEX1ALDH1A1NPSR1HSD17B10GAA

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-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed