SCHEMBL9749267

SCHEMBL9749267

CC(C(=O)O)c1csc(SCC(=O)O)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
CXCL12 P48061 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL9749075 0.78 KDM4E (0.44) SMN1; SMN2ALDH1A1LMNA
SCHEMBL9749568 0.75 L3MBTL1 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL31742493 0.73 GAA (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL29285032 0.71 HDAC3 (0.36) ALDH1A1HPGDLMNA
SCHEMBL9749270 0.70 L3MBTL1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL24917646 0.69 SHMT1 (0.37) SMN1; SMN2ALDH1A1HPGDMAPTLMNA
SCHEMBL1565803 0.69 HSD17B10 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8538009 0.69 SHMT1 (0.35) RAB9AGAAMEN1KMT2APOLB
SCHEMBL18169169 0.69 RAB9A (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1758691 0.68 HSD17B10 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1GAA

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