SCHEMBL7534908

SCHEMBL7534908

NS(=O)(=O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.62
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
CA2 P00918 6/20 0.51
CA1 P00915 5/20 0.51
CA9 Q16790 5/20 0.51
CA12 O43570 4/20 0.51
ERN1 O75460 1/20 0.50
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
CDK2 P24941 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL7526892 0.84 GPR35 (0.64) GPR35KMT2AMEN1CA2CA1
SCHEMBL27558539 0.82 GPR35 (0.62) GPR35KMT2AMEN1CA2CA1
SCHEMBL1121443 0.82 GPR35 (0.62) GPR35KMT2AMEN1CA2CA1
SCHEMBL370668 0.81 KMT2A (0.70) KMT2AMEN1CA2CA1CA9
SCHEMBL4158554 0.81 KMT2A (0.70) KMT2AMEN1CA2CA1CA9
SCHEMBL7531976 0.80 KMT2A (0.53) GPR35KMT2AMEN1CA2CA1
SCHEMBL414795 0.80 GPR35 (0.56) GPR35KMT2AMEN1CA2CA1
SCHEMBL30075050 0.80 KMT2A (0.53) GPR35KMT2AMEN1CA2CA1
Hydrochloric Acid SCHEMBL28910568 0.79 KMT2A (0.68) KMT2AMEN1CA2CA1CA9
SCHEMBL22719534 0.79 KMT2A (0.68) KMT2AMEN1CA2CA1CA9

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
EP-0463993-B1 Process for the preparation of aminoanthraquinone derivatives CIBA SC HOLDING AG (CH) 2002-05-02 EP disclosed
US-5196553-A From bromaminic acid and a benzenesulfonamide or an amide, copper/I/ catalyst formed by in situ reduction of a copper/II/ salt, less copper required CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
EP-0463993-A1 Process for the preparation of aminoanthraquinone derivatives CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed