SCHEMBL7108430

SCHEMBL7108430

CCc1c(S)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.41
USP7 Q93009 3/20 0.40
ESR2 Q92731 3/20 0.38
ESR1 P03372 2/20 0.38
DHFR P00374 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL28769956 0.84 USP7 (0.47) GCGRUSP7ESR2ESR1DHFR
SCHEMBL6757902 0.81 SMN1; SMN2 (0.39) PTGS1PTGS2KDM4EL3MBTL1LMNA
SCHEMBL2201812 0.78 ESR2 (0.53) GCGRUSP7ESR2ESR1DHFR
SCHEMBL30234292 0.78 ESR2 (0.53) GCGRUSP7ESR2ESR1DHFR
SCHEMBL2491463 0.78 GCGR (0.44) GCGRUSP7ESR2ESR1DHFR
SCHEMBL9579775 0.78 GCGR (0.41) GCGRUSP7ESR2ESR1DHFR
SCHEMBL9557892 0.76 LMNA (0.39) ESR2LMNAMAPTHTT
SCHEMBL31303989 0.76 LMNA (0.39) ESR2LMNAMAPTHTT
SCHEMBL2100776 0.74 LMNA (0.37) ESR2LMNAMAPTHTT
Formaldehyde SCHEMBL29141443 0.74 ESR2 (0.49) GCGRUSP7ESR2ESR1KDM4E

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-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed