SCHEMBL16287024

SCHEMBL16287024

C#Cc1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TEAD1 P28347 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ PTPRB P23467 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43

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
SCHEMBL8266055 0.89 GPR119 (0.57) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL2793493 0.86 GPR119 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL5013239 0.85 ALDH1A1 (0.51) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL652849 0.85 HTT (0.57) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL4139902 0.85 DNMT3A (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL616004 0.84 STS (0.60) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL8310565 0.84 ITGB1 (0.46) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL7381166 0.84 ALDH1A1 (0.69) STSALDH1A1MAPTHTTGPR119
SCHEMBL22387579 0.84 STS (0.48) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL2797701 0.83 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533965-B2 2-arylbenzofuran-7-formamide compounds, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-03 — — US disclosed
US-9533965-B2 2-arylbenzofuran-7-formamide compounds, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-03 — — US disclosed
EP-2813495-B1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2016-09-28 — — EP disclosed
EP-2813495-B1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2016-09-28 — — EP disclosed
EP-2813495-A1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-12-17 — — EP disclosed
EP-2813495-A1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-12-17 — — EP disclosed
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