SCHEMBL9749292

SCHEMBL9749292

COC(=O)CCCSc1nc(C)[c]s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK14 Q16539 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
GBA1 P04062 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9749643 0.79 APEX1 (0.40) TSHRALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL9749161 0.78 APEX1 (0.39) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9748936 0.77 APEX1 (0.51) TSHRALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL13471446 0.75 MAPT (0.42) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL9750212 0.74 KMT2A (0.43) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL13471235 0.74 TSHR (0.56) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL10690648 0.70 TSHR (0.41) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL9749308 0.67 ALDH1A1 (0.32) ALDH1A1HSD17B10L3MBTL1
SCHEMBL9749305 0.67 ALDH1A1 (0.32) ALDH1A1HSD17B10L3MBTL1
SCHEMBL10685537 0.66 TSHR (0.39) TSHRRAB9AALDH1A1MAPTHSD17B10

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 2 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
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed