SCHEMBL4557290

SCHEMBL4557290

O=C1CN(c2ccc(CCn3ccnc3)cc2O)S(=O)(=O)N1.O=c1[nH][s+]([O-])[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.40
TBXAS1 P24557 4/20 0.36
KMT2A Q03164 2/20 0.36
CYP19A1 P11511 1/20 0.36
PTPN2 P17706 3/20 0.34
MEN1 O00255 1/20 0.31
HMOX1 P09601 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL3216707 0.92 PTPN1 (0.46) PTPN1TBXAS1KMT2ACYP19A1PTPN2
SCHEMBL4782763 0.79 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL4557565 0.76 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL4461683 0.76 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3216140 0.75 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL4782346 0.74 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL3216584 0.72 PTPN1 (0.50) PTPN1TBXAS1PTPN2
SCHEMBL2933680 0.72 PTPN1 (0.54) PTPN1PTPN2TP53CYP1A2CYP3A4
SCHEMBL3916808 0.72 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL4557101 0.71 PTPN1 (0.42) PTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed