SCHEMBL5268978

SCHEMBL5268978

COc1ccc(S(=O)(=O)Nc2c[nH]nc2C(=O)NCc2ccco2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
SLC40A1 Q9NP59 1/20 0.47
RELA Q04206 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 5/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 4/20 0.45
MAPK1 P28482 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 2/20 0.43
GAA P10253 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
SCHEMBL5271535 0.87 SLC40A1 (0.49) POLBSLC40A1RELAKMT2AHPGD
SCHEMBL5272917 0.84 RAB9A (0.57) POLBKMT2AALDH1A1HPGDRAB9A
SCHEMBL5265901 0.83 SLC40A1 (0.53) SLC40A1RELAKMT2AALDH1A1RAB9A
SCHEMBL5269033 0.82 RAB9A (0.49) POLBSLC40A1RELAKMT2ARAB9A
SCHEMBL5274156 0.77 SLC40A1 (0.48) SLC40A1RELAKMT2AALDH1A1HPGD
SCHEMBL4287032 0.77 HPGD (0.58) POLBRELAKMT2AALDH1A1HPGD
SCHEMBL5269055 0.77 TSHR (0.57) POLBKMT2AALDH1A1HPGDPKM
SCHEMBL5269276 0.77 ALDH1A1 (0.53) POLBKMT2AALDH1A1HPGDRAB9A
SCHEMBL5268265 0.77 TDP1 (0.47) POLBALDH1A1HPGDPKMHSD17B10
SCHEMBL5269115 0.76 HPGD (0.48) POLBKMT2AALDH1A1HPGDRAB9A

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
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed