SCHEMBL7058489

SCHEMBL7058489

O=[N+]([O-])c1ccccc1S(=O)(=O)CCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
CYP19A1 P11511 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL25426560 0.83 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL9340103 0.83 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL6367042 0.83 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL7896686 0.82 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL12751034 0.80 KMT2A (0.66) KMT2AMEN1CA1CA2MMP1
SCHEMBL11260836 0.79 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL14613962 0.79 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL9948638 0.79 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL4580867 0.78 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL2362856 0.78 TXNRD1 (0.54) KMT2AMEN1CA1CA2MMP1

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
WO-2003026666-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, AS SRC KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed