SCHEMBL8652108

SCHEMBL8652108

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.43
SLC6A3 Q01959 3/20 0.43
UBE2N P61088 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
PRKCZ Q05513 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
TP53 P04637 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL8650648 0.86 L3MBTL1 (0.52) L3MBTL1NPC1TDP1LMNAUBE2N
SCHEMBL8650136 0.77 TDP1 (0.51) L3MBTL1NPC1TDP1LMNASLC6A3
SCHEMBL8648049 0.75 MAPT (0.46) L3MBTL1LMNASLC6A3ALDH1A1SMN1; SMN2
SCHEMBL29936785 0.73 L3MBTL1 (0.49) L3MBTL1NPC1TDP1LMNASLC6A3
SCHEMBL6465316 0.70 ALDH1A1 (0.73) L3MBTL1NPC1TDP1LMNAUBE2N
SCHEMBL13228941 0.69 SMN1; SMN2 (0.56) LMNASLC6A3ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8652115 0.68 ALDH1A1 (0.42) TDP1LMNASLC6A3ALDH1A1SMN1; SMN2
SCHEMBL21033456 0.68 MAPT (0.60) L3MBTL1NPC1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6441497 0.68 ALDH1A1 (0.53) L3MBTL1NPC1TDP1LMNAALDH1A1
SCHEMBL11227892 0.67 LMNA (0.64) L3MBTL1LMNAALDH1A1SMN1; SMN2RAB9A

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