SCHEMBL28359780

SCHEMBL28359780

C(#Cc1ccccc1)SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.55
APP P05067 1/20 0.46
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
FFAR1 O14842 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
IDO1 P14902 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 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
SCHEMBL9217746 0.84 MAOB (0.44) PAMMAOBMAOACYP1A2CYP3A4
SCHEMBL44259 0.84 IDO1 (0.44) MAOBMAOACYP1A2CYP3A4CYP2C19
SCHEMBL28377983 0.76 PAM (0.57) PAMAPPCYP1A2CYP3A4CYP2C9
SCHEMBL28840340 0.75 FFAR1 (0.41) PAMMAOBMAOACYP1A2CYP3A4
SCHEMBL23138287 0.74 IDO1 (0.38) MAOBMAOACYP1A2CYP3A4CYP2C9
SCHEMBL2074627 0.74 IDO1 (0.44) MAOBMAOACYP1A2CYP3A4CYP2C19
SCHEMBL28420190 0.72 TP53 (0.41) MAOBMAOACYP1A2CYP3A4IDO1
SCHEMBL28902312 0.71 CYP2D6 (0.44) MAOBMAOACYP1A2CYP3A4IDO1
SCHEMBL23088675 0.71 EGFR (0.39) MAOBMAOACYP1A2CYP3A4CYP2C9
SCHEMBL28632566 0.71 APP (0.61) PAMAPPCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN claimed
CN-115044923-B Method for preparing 2-aryl-3-thiocyano-benzothiophene by utilizing electrochemical reaction 盐城师范学院 2023-05-05 CN disclosed
CN-115044923-A Method for preparing 2-aryl-3-thiocyano-benzothiophene by using electrochemical reaction 盐城师范学院 2022-09-13 CN disclosed
CN-110791775-B Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2021-02-05 CN disclosed
CN-110656346-B Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2021-02-02 CN disclosed
CN-110483475-B Method for preparing benzothiophene compound by silver oxide catalysis method 绍兴文理学院 2020-11-27 CN disclosed
CN-111675690-A Benzothiophene compound and preparation and application method thereof 绍兴文理学院 2020-09-18 CN disclosed
CN-110791775-A Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2020-02-14 CN disclosed
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN disclosed