SCHEMBL27906930

SCHEMBL27906930

Clc1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.62
MAOA P21397 2/20 0.62
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PDE4D Q08499 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
HPGD P15428 3/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48

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
SCHEMBL2149843 0.88 MAOB (0.61) MAOBMAOAMEN1KMT2APDE4D
SCHEMBL24758007 0.87 MAOB (0.57) MAOBMAOAMEN1KMT2APDE4D
SCHEMBL61411 0.84 MAOB (0.71) MAOBMAOAMEN1KMT2ACYP1A2
SCHEMBL12854020 0.84 MAOB (0.71) MAOBMAOAMEN1KMT2ACYP1A2
SCHEMBL15157601 0.81 ESR1 (0.56) MEN1KMT2APDE4DHPGDGABRP
SCHEMBL26830157 0.81 MEN1 (0.61) MAOBMAOAMEN1KMT2APDE4D
SCHEMBL28032529 0.81 MEN1 (0.48) MAOBMAOAMEN1KMT2APDE4D
SCHEMBL26828234 0.79 MAOB (0.56) MAOBMAOAMEN1KMT2APDE4D
SCHEMBL103158 0.79 MAOB (0.63) MAOBMAOACYP1A2PTPRCPTPN1
SCHEMBL30036439 0.79 MAOB (0.63) MAOBMAOACYP1A2PTPRCPTPN1

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
CN-114751882-B Synthesis method of benzofuran 南京工业大学 2024-02-23 CN disclosed
CN-114751882-A Synthetic method of benzofuran 南京工业大学 2022-07-15 CN disclosed
CN-102911254-A HCV (hepatitis C virus) protease inhibitor SHANGHAI TANGRUN MEDICAL TECHNOLOGY CO LTD 2013-02-06 CN disclosed