SCHEMBL8650648

SCHEMBL8650648

COC(=O)c1c2cccccc-2c(-c2ccccc2)c1-c1ccc(SC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
NPC1 O15118 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
UBE2N P61088 1/20 0.43
HPGD P15428 1/20 0.43
PRKCZ Q05513 1/20 0.43
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
TP53 P04637 1/20 0.42
AR P10275 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL8652108 0.86 L3MBTL1 (0.50) L3MBTL1NPC1TDP1LMNAALDH1A1
SCHEMBL8650136 0.82 TDP1 (0.51) L3MBTL1NPC1TDP1LMNAALDH1A1
SCHEMBL8646855 0.79 PTGS2 (0.59) LMNAALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL11227892 0.76 LMNA (0.64) L3MBTL1LMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL29936785 0.75 L3MBTL1 (0.49) L3MBTL1NPC1TDP1LMNAALDH1A1
SCHEMBL8652111 0.74 MAPT (0.50) L3MBTL1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL19397824 0.73 FGFR1 (0.56) TDP1LMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL6465316 0.72 ALDH1A1 (0.73) L3MBTL1NPC1TDP1LMNAALDH1A1
SCHEMBL6441497 0.72 ALDH1A1 (0.53) L3MBTL1NPC1TDP1LMNAALDH1A1
Bicarbonate SCHEMBL29125500 0.72 PTGS2 (0.60) L3MBTL1NPC1SMN1; SMN2RAB9AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843999-A 2-phenylazulene derivatives and a manufacturing method of these compounds KOTOBUKI SEIYAKU CO., LTD. (JP) 1998-12-01 US disclosed