SCHEMBL28207136

SCHEMBL28207136

O=C1Cc2ccccc2N1c1c(F)c(F)cc(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
NOTUM Q6P988 1/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
CASP6 P55212 4/20 0.43
GAA P10253 4/20 0.43
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CHRM1 P11229 1/20 0.37
MAPT P10636 1/20 0.37
TNKS O95271 1/20 0.36
GRM4 Q14833 1/20 0.36
PER2 O15055 1/20 0.36
CRY2 Q49AN0 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL17954911 0.86 HPGD (0.41) HPGDNOTUMKMT2AMEN1CHRM1
SCHEMBL11032644 0.83 HPGD (0.59) HPGDNOTUMKMT2AMEN1CASP6
SCHEMBL30886769 0.80 KMT2A (0.44) HPGDNOTUMKMT2AMEN1CASP6
SCHEMBL29256925 0.80 KMT2A (0.44) HPGDNOTUMKMT2AMEN1CASP6
SCHEMBL7008036 0.80 HPGD (0.62) HPGDNOTUMKMT2AMEN1CASP6
SCHEMBL6036422 0.77 SRD5A1 (0.37) HPGDKMT2AMEN1CASP6GAA
SCHEMBL30874670 0.76 MAPT (0.42) HPGDNOTUMKMT2AMEN1GAA
SCHEMBL2982634 0.73 GAA (0.59) HPGDNOTUMKMT2AMEN1CASP6
SCHEMBL6765903 0.73 HPGD (0.74) HPGDNOTUMKMT2AMEN1CASP6
SCHEMBL29651988 0.73 GAA (0.59) HPGDNOTUMKMT2AMEN1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503399-B Preparation method of Robenxib 江苏天和制药有限公司 2021-12-24 CN claimed
CN-109503399-A A kind of preparation method of rofecoxib 江苏天和制药有限公司 2019-03-22 CN claimed
CN-107721901-A A kind of preparation method of 2 [2 (2,3,5,6 phenyl tetrafluoride amido) phenyl] acetic acid 刘磊 2018-02-23 CN claimed
CN-117886710-A Synthesis method of roxburgh Bei Kao shake 武汉回盛生物科技股份有限公司 2024-04-16 CN disclosed
CN-109503399-B Preparation method of Robenxib 江苏天和制药有限公司 2021-12-24 CN disclosed
CN-109503399-B Preparation method of Robenxib 江苏天和制药有限公司 2021-12-24 CN disclosed
CN-109503399-A A kind of preparation method of rofecoxib 江苏天和制药有限公司 2019-03-22 CN disclosed
CN-107721901-A A kind of preparation method of 2 [2 (2,3,5,6 phenyl tetrafluoride amido) phenyl] acetic acid 刘磊 2018-02-23 CN disclosed