SCHEMBL28023596

SCHEMBL28023596

CCCCCC[S+]([O-])c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
FAAH O00519 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CES1 P23141 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
MIF P14174 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PTGS2 P35354 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 3/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL28111267 0.78 MAPT (0.40) MAPTTP53ALDH1A1KMT2AHSD17B10
SCHEMBL14860942 0.73 MAPT (0.46) MAPTTP53ALDH1A1KMT2AHSD17B10
SCHEMBL6271564 0.73 SOAT1 (0.65)
SCHEMBL9181563 0.72 NPC1 (0.37) MAPTTP53FAAHALDH1A1KMT2A
SCHEMBL11623669 0.71 MAPT (0.68) MAPTTP53FAAHALDH1A1KMT2A
SCHEMBL28018742 0.71 MAPT (0.68) MAPTTP53FAAHALDH1A1KMT2A
SCHEMBL14402606 0.71 MAPT (0.68) MAPTTP53FAAHALDH1A1KMT2A
SCHEMBL7793708 0.71 MAPT (0.68) MAPTTP53FAAHALDH1A1KMT2A
SCHEMBL2567453 0.71 MAPT (0.68) MAPTTP53FAAHALDH1A1KMT2A
SCHEMBL28018741 0.71 MAPT (0.68) MAPTTP53FAAHALDH1A1KMT2A

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
CN-104774187-A 2-(hexyl sulfinyl) benzoxazole, preparation method thereof and method for extracting and separating iridium and rhodium with the same UNIV YUNNAN 2015-07-15 CN disclosed
CN-104774187-A 2-(hexyl sulfinyl) benzoxazole, preparation method thereof and method for extracting and separating iridium and rhodium with the same UNIV YUNNAN 2015-07-15 CN disclosed