SCHEMBL44258

SCHEMBL44258

O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(-c3cn4ncccc4n3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL44344 0.85 TP53 (0.45) CYP19A1KMT2AMEN1ALDH1A1PKM
SCHEMBL44710 0.84 MEN1 (0.45) CYP19A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL44668 0.84 CYP19A1 (0.56) CYP19A1KMT2AMEN1CA1CA2
SCHEMBL38873 0.82 CYP19A1 (0.47) CYP19A1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL44653 0.80 ALDH1A1 (0.54) L3MBTL1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL22489899 0.78 CYP19A1 (0.73) CYP19A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL44570 0.77 CNR1 (0.40) CYP19A1KMT2APOLBRAB9APIK3CD
SCHEMBL44400 0.77 ALDH1A1 (0.45) CYP19A1KMT2APOLBALDH1A1PKM
SCHEMBL5034929 0.74 CYP19A1 (0.74) CYP19A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL4349159 0.74 CYP19A1 (0.86) CYP19A1L3MBTL1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed