SCHEMBL28650889

SCHEMBL28650889

O=C(COc1ccc(Cl)c(Cl)c1)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
ABCB1 P08183 1/20 0.59
HPGD P15428 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
ADAMTS5 Q9UNA0 3/20 0.58
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PPARG P37231 1/20 0.55
HTT P42858 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GRIN1 Q05586 1/20 0.54

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
SCHEMBL28670412 0.92 L3MBTL1 (0.61) PTPN1HPGDADAMTS5ALDH1A1GAA
SCHEMBL28668952 0.86 KMT2A (0.68) HPGDADAMTS5ALDH1A1GAAMEN1
SCHEMBL4737461 0.84 MEN1 (0.78) PTPN1ABCB1HPGDABCG2ALDH1A1
SCHEMBL28676238 0.84 GRIN1 (0.53) PTPN1HPGDADAMTS5ALDH1A1GAA
SCHEMBL9770486 0.83 PTPN1 (0.78) PTPN1ABCB1HPGDABCG2ADAMTS5
SCHEMBL28654035 0.82 ALDH1A1 (0.77) HPGDADAMTS5ALDH1A1MEN1KMT2A
SCHEMBL28655075 0.81 ALDH1A1 (0.59) HPGDADAMTS5ALDH1A1MEN1KMT2A
SCHEMBL9265091 0.81 HPGD (0.81) PTPN1ABCB1HPGDABCG2ADAMTS5
SCHEMBL28668119 0.81 ALDH1A1 (0.59) HPGDADAMTS5ALDH1A1MEN1KMT2A
SCHEMBL25811671 0.81 ALDH1A1 (0.63) HPGDALDH1A1MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed