SCHEMBL28668952

SCHEMBL28668952

O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
HPGD P15428 1/20 0.68
ADAMTS5 Q9UNA0 2/20 0.67
RAB9A P51151 1/20 0.64
TAOK1 Q7L7X3 2/20 0.59
TAOK3 Q9H2K8 1/20 0.59
CYP2C19 P33261 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP2C9 P11712 1/20 0.59
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.55
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
HTT P42858 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
SCHEMBL28650889 0.86 PTPN1 (0.61) KMT2AHPGDADAMTS5L3MBTL1MEN1
SCHEMBL9265107 0.86 LMNA (0.66) KMT2AHPGDADAMTS5RAB9ATAOK1
SCHEMBL28670412 0.84 L3MBTL1 (0.61) KMT2AHPGDADAMTS5L3MBTL1MEN1
SCHEMBL14112020 0.84 KMT2A (0.79) KMT2AHPGDADAMTS5RAB9ACYP2C19
SCHEMBL14112019 0.83 KMT2A (0.73) KMT2AHPGDADAMTS5RAB9ACYP2C19
SCHEMBL4781790 0.83 LSS (0.74) KMT2AHPGDADAMTS5RAB9ACYP2C19
SCHEMBL28676262 0.83 ERCC1 (0.68) KMT2AADAMTS5TAOK1TAOK3MEN1
SCHEMBL5272168 0.82 KMT2A (1.00) KMT2AHPGDRAB9ACYP2C19L3MBTL1
SCHEMBL9273340 0.81 KMT2A (0.84) KMT2AHPGDADAMTS5RAB9ACYP2C19
SCHEMBL9273628 0.80 KMT2A (0.82) KMT2AHPGDADAMTS5RAB9ACYP2C19

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