SCHEMBL28010069

SCHEMBL28010069

Cc1ccc(SCc2ccccc2)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
SLC6A4 P31645 7/20 0.58
SLC6A3 Q01959 6/20 0.58
SLC6A2 P23975 6/20 0.58
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
AGTR1 P30556 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
SCHEMBL10263771 0.82 POLB (0.69) POLBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5398772 0.80 HDAC6 (0.53) POLBSLC6A4SLC6A3SLC6A2TDP1
SCHEMBL8378911 0.80 POLB (0.71) POLBSLC6A4SLC6A3SLC6A2TDP1
SCHEMBL9933780 0.79 POLB (0.65) POLBSLC6A4SLC6A3SLC6A2TDP1
SCHEMBL28009527 0.79 POLB (0.65) POLBSLC6A4SLC6A2RAB9ANPC1
SCHEMBL3896275 0.79 POLB (1.00) POLBRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL14383993 0.79 POLB (0.59) POLBSLC6A4SLC6A3SLC6A2RAB9A
SCHEMBL27445247 0.77 POLB (0.72) POLBSLC6A4RAB9ANPC1SMN1; SMN2
SCHEMBL15133705 0.77 RAB9A (0.47) POLBSLC6A4SLC6A3SLC6A2TDP1
SCHEMBL31645083 0.77 POLB (0.43) POLBSLC6A4SLC6A3SLC6A2RAB9A

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-104892545-A Method for synthesizing poly-substituted 2-aryl benzothiazoles by utilizing thiourea as sulphur source UNIV NANJING SCIENCE & TECH 2015-09-09 CN claimed
CN-104892545-A Method for synthesizing poly-substituted 2-aryl benzothiazoles by utilizing thiourea as sulphur source UNIV NANJING SCIENCE & TECH 2015-09-09 CN disclosed