SCHEMBL407602

SCHEMBL407602

CC(=O)c1cc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.69
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
DYRK1A Q13627 2/20 0.62
CLK1 P49759 1/20 0.62
DYRK1B Q9Y463 1/20 0.62
SLC9A1 P19634 2/20 0.57
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
HRH4 Q9H3N8 1/20 0.55
RAB9A P51151 1/20 0.54

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
SCHEMBL21178170 0.88 BCL2L1 (0.56) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5999605 0.85 DYRK1A (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6321234 0.83 BCL2L1 (0.74) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7209477 0.83 BCL2L1 (0.74) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31356465 0.83 BCL2L1 (0.74) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5355955 0.82 BCL2L1 (0.71) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL93858 0.82 BCL2L1 (1.00) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29438783 0.82 BCL2L1 (1.00) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29746765 0.80 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21847973 0.80 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7

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 366 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400518-B Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof 湘潭大学 2021-09-24 CN claimed
CN-108997329-B Polysubstituted 3- (3-benzo [ b ] selenophenyl) -1H-2-aryl indole and derivative and synthesis method thereof 湘潭大学 2021-06-04 CN claimed
CN-110615771-A Method for directly synthesizing furazan oxide from methyl ketone 中国科学院青岛生物能源与过程研究所 2019-12-27 CN claimed
WO-2011036680-A2 IMPROVED PROCESS FOR THE PREPARATION OF (±)-1-(1-BENZO[B]THIEN-2-YLETHYL)-1-HYDROXYUREA MSN LABORATORIES LIMITED (IN) 2011-03-31 WO claimed
EP-0572712-B1 Processes for producing 2-substituted benzo(beta)thiophene SUMITOMO SEIKA CHEMICALS (JP) 1998-01-21 EP claimed
EP-0599531-B1 Process for production of 2-acetylbenzo b thiophene IHARA CHEMICAL IND CO (JP) 1997-07-09 EP claimed
US-5403939-A Reacting a 2-halogenobenzaldehyde with an alkali metal sulfide and again with a monohalogenoacetone TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-04 US claimed
EP-0599531-A1 Process for production of 2-acetylbenzo b thiophene IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1994-06-01 EP claimed
US-5298630-A Reacting 2-alkylthiobenzaldehyde derivative with halo compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-03-29 US claimed
EP-0572712-A2 Processes for producing 2-substituted benzo(beta)thiophene SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-12-08 EP claimed
US-5266705-A Reacting 2-halogenobenzaldehyde with polysulfide, reacting with monohalogenoacetone IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-11-30 US claimed
JP-6087853-A None JP disclosed
JP-6087852-A None JP disclosed
JP-5155881-A None JP disclosed
JP-5331162-A None JP disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 US disclosed
US-4169892-A 1-(BENZOTHIEN-2'-YL)-3-MORPHOLINO PROPANONES AND THERAPEUTIC COMPOSITIONS CONTAINING SAME INNOTHERA (FR) 1979-10-02 US disclosed
US-4169892-A 1-(BENZOTHIEN-2'-YL)-3-MORPHOLINO PROPANONES AND THERAPEUTIC COMPOSITIONS CONTAINING SAME INNOTHERA (FR) 1979-10-02 US disclosed
US-4079140-A BLOOD PLAQUE AGGREGATION INHIBITORS, SPASMOLYTIC, ANALGESIC, ANTIINFLAMMATORY, VASODILATORS INNOTHERA (FR) 1978-03-14 US disclosed
US-4079140-A BLOOD PLAQUE AGGREGATION INHIBITORS, SPASMOLYTIC, ANALGESIC, ANTIINFLAMMATORY, VASODILATORS INNOTHERA (FR) 1978-03-14 US disclosed