SCHEMBL9749568

SCHEMBL9749568

O=C(O)CSc1nc(C(=O)O)cs1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
FFAR1 O14842 1/20 0.41
POLB P06746 1/20 0.41
CXCL12 P48061 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 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
SCHEMBL9750229 0.82 APEX1 (0.53) L3MBTL1GAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL12964364 0.81 PLA2G4A (0.46) L3MBTL1ALDH1A1PRKAG1PRKAA2PRKAB1
SCHEMBL31742493 0.80 GAA (0.42) L3MBTL1GAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL12964413 0.79 PLA2G4A (0.48) L3MBTL1ALDH1A1LMNA
SCHEMBL6825656 0.78 L3MBTL1 (0.48) L3MBTL1ALDH1A1PRKAG1PRKAA2PRKAB1
SCHEMBL9749270 0.76 L3MBTL1 (0.39) L3MBTL1GAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL9749240 0.75 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1PRKAG1PRKAA2
SCHEMBL9749267 0.75 SMN1; SMN2 (0.44) L3MBTL1GAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL18169169 0.75 RAB9A (0.69) L3MBTL1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL9481442 0.75 L3MBTL1 (0.46) L3MBTL1ALDH1A1PRKAG1PRKAA2PRKAB1

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