SCHEMBL6087632

SCHEMBL6087632

N#CCOc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.48
ERN1 O75460 5/20 0.43
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.36
CCR5 P51681 1/20 0.34
LMNA P02545 1/20 0.33
PTPN1 P18031 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL30400094 1.00 ORAI1 (0.48) ORAI1ERN1POLBALOX15HTT
SCHEMBL6090664 0.82 ERN1 (0.51) ERN1POLBALOX15HTTTDP1
SCHEMBL8189636 0.78 ORAI1 (0.51) ORAI1ERN1POLBHTTTDP1
SCHEMBL17221402 0.78 POLB (0.39) ERN1POLBALOX15HTTALDH1A1
SCHEMBL2562281 0.77 ALDH1A1 (0.46) ORAI1ERN1POLBALOX15LMNA
SCHEMBL5883224 0.75 ORAI1 (0.56) ORAI1ERN1POLBTDP1CYP1A2
SCHEMBL5881855 0.75 ORAI1 (0.49) ORAI1ERN1POLBTDP1CYP1A2
SCHEMBL17513175 0.75 ORAI1 (0.56) ORAI1ERN1POLBHTTTDP1
SCHEMBL3222717 0.75 ORAI1 (0.49) ORAI1ERN1POLBTDP1CYP1A2
SCHEMBL2556737 0.74 TDP1 (0.49) ORAI1ERN1HTTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 CN claimed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 CN claimed
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 CN disclosed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 CN disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed