SCHEMBL4315973

SCHEMBL4315973

CCc1cc(OS(C)(=O)=O)n(-c2cccc(C)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.45
TGFB2 P61812 1/20 0.36
RECQL P46063 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL27761145 0.87 TGFBR1 (0.45) TGFBR1TGFB2RECQLIRAK4MAPT
SCHEMBL2011373 0.86 TGFBR1 (0.42) TGFBR1TGFB2RECQLIRAK4KDM4E
SCHEMBL2009561 0.74 TGFBR1 (0.51) TGFBR1TGFB2RECQLIRAK4MAPT
SCHEMBL17328622 0.74 TGFBR1 (0.51) TGFBR1TGFB2RECQLIRAK4MAPT
SCHEMBL24095415 0.72 TGFBR1 (0.43) TGFBR1TGFB2IRAK4
SCHEMBL2012430 0.71 MAPT (0.42) TGFBR1RECQLIRAK4KDM4ELMNA
SCHEMBL9405312 0.66 IRAK4 (0.37) TGFBR1IRAK4
SCHEMBL20028700 0.65 SMN1; SMN2 (0.56) RECQLKDM4ELMNATP53GAA
SCHEMBL27382529 0.64 TGFBR1 (0.47) TGFBR1TGFB2IRAK4TSHRMAPT
SCHEMBL7038679 0.63 CCR1 (0.41) RECQLKDM4ELMNA

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-2074128-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES Pfizer Products Incorporated (US) 2009-07-01 EP disclosed
WO-2008047198-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed