SCHEMBL9750229

SCHEMBL9750229

O=C(O)CCSc1nc(C(=O)O)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
PLA2G4A P47712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PTGER4 P35408 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL12964413 0.83 PLA2G4A (0.48) ALDH1A1L3MBTL1PLA2G4APTGER3PTGER2
SCHEMBL9749568 0.82 L3MBTL1 (0.43) ALDH1A1GAAPOLBHPGDSMN1; SMN2
SCHEMBL9749078 0.80 APEX1 (0.50) APEX1ALDH1A1HSD17B10GAAPOLB
SCHEMBL12964364 0.79 PLA2G4A (0.46) ALDH1A1L3MBTL1PLA2G4AKDM4ETDP1
SCHEMBL7024852 0.76 PTGER3 (0.41) PTGER3PTGER2PTGER4
SCHEMBL6825656 0.75 L3MBTL1 (0.48) ALDH1A1TSHRL3MBTL1PLA2G4AKDM4E
SCHEMBL1811039 0.72 GAA (0.55) ALDH1A1HSD17B10GAAPOLBHPGD
SCHEMBL10969470 0.72 SMN1; SMN2 (0.54) ALDH1A1HSD17B10GAAPOLBHPGD
SCHEMBL9749240 0.72 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1PLA2G4APTGER3
SCHEMBL9481442 0.72 L3MBTL1 (0.46) ALDH1A1TSHRL3MBTL1PLA2G4AKDM4E

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-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed