SCHEMBL9749240

SCHEMBL9749240

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G4A P47712 1/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL12964364 0.78 PLA2G4A (0.46) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL9750226 0.76 KDM4E (0.45) L3MBTL1ALDH1A1LMNAPRKAG1PRKAA2
SCHEMBL12964413 0.76 PLA2G4A (0.48) L3MBTL1ALDH1A1LMNAPLA2G4APTGER4
SCHEMBL9749568 0.75 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL9750229 0.72 APEX1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2PLA2G4APTGER4
SCHEMBL3114211 0.72 L3MBTL1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2PLA2G4APRKAG1
SCHEMBL9749238 0.72 HTT (0.46) L3MBTL1ALDH1A1PLA2G4APRKAG1PRKAA2
SCHEMBL6825656 0.72 L3MBTL1 (0.48) L3MBTL1ALDH1A1PLA2G4APRKAG1PRKAA2
SCHEMBL9749386 0.71 ALDH1A1 (0.44) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29232872 0.69 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2PLA2G4A

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