SCHEMBL28024588

SCHEMBL28024588

COc1ccc2c(c1)c(-c1[c]cccc1)cn2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.51
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
FGFR1 P11362 1/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PLA2G4A P47712 3/20 0.40
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10325495 0.80 KDM4E (0.50) ALDH1A1HPGDKDM4EL3MBTL1NPSR1
SCHEMBL28024611 0.72 PTPN11 (0.51) HTR6MTNR1AMTNR1BHTTALDH1A1
SCHEMBL23898712 0.71 HTR6 (0.55) HTR6MTNR1AMTNR1B
SCHEMBL28027053 0.71 HTR6 (0.55) HTR6MTNR1AMTNR1BFGFR1HTT
SCHEMBL18552151 0.70 KDR (0.52) HTR6HPGDMAPTMEN1KMT2A
SCHEMBL6616034 0.69 GAA (0.41) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL5321804 0.69 HDAC4 (0.48) HTTALDH1A1HPGDKDM4EMAPT
SCHEMBL1293107 0.69 PTPN1 (0.47) HTTALDH1A1HPGDMAPTMEN1
SCHEMBL5324006 0.69 CYP1A1 (0.53) HTTALDH1A1KDM4EMAPTMEN1
SCHEMBL18552051 0.68 KDR (0.50) HTR6HPGDMAPTKMT2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803817-B The synthetic method of aryl sulfonic acid aryl ester type compound 上海大学 2017-12-05 CN disclosed
CN-104803817-A Method for synthesizing arenesulphonate compound UNIV SHANGHAI 2015-07-29 CN disclosed