SCHEMBL6177289

SCHEMBL6177289

NCc1sc2cc3c(cc2c1Oc1ccc(Cl)cc1)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MAPT P10636 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ PTPRE P23469 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33

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
SCHEMBL6178899 0.89 MAOB (0.43) MAOBALDH1A1MAPK1PIM1MAP2K2
SCHEMBL6179847 0.88 MAOB (0.42) MAOBALDH1A1MAPK1PIM1MAP2K2
SCHEMBL6176694 0.78 MAOB (0.39) MAOBALDH1A1PIM1MAP2K2CDK8
SCHEMBL6177204 0.76 POLB (0.36) MAOBALDH1A1POLBNPC1TDP1
SCHEMBL6178817 0.73 CA12 (0.41) ALDH1A1MAPTNPSR1TSHRMEN1
SCHEMBL7869588 0.72 POLB (0.37) ALDH1A1POLBNPC1TDP1L3MBTL1
SCHEMBL7866131 0.71 NPC1 (0.40) ALDH1A1MAPK1CDK8POLBNPC1
SCHEMBL7392946 0.68 L3MBTL1 (0.43) ALDH1A1CDK8NPC1L3MBTL1ATM
SCHEMBL6176686 0.67 SERPINE1 (0.63) —
SCHEMBL3747084 0.65 NPC1 (0.38) ALDH1A1NPC1TDP1L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092716-B1 Derivatives of benzothiophenes, benzofurans and indoles, method for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-02-16 — — EP disclosed
US-6302837-B1 ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-10-16 — — US disclosed
EP-1092716-A2 Derivatives of benzothiophenes, benzofurans and indoles, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-04-18 — — EP disclosed
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