SCHEMBL7221802

SCHEMBL7221802

O=C(S)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.49
KCNMA1 Q12791 2/20 0.48
ERN1 O75460 1/20 0.47
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL11165066 0.85 L3MBTL1 (0.63) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL578933 0.83 ALDH1A1 (0.66) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL2236400 0.81 GPR35 (0.56) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL28281676 0.81 ALDH1A1 (0.64) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL1644789 0.81 GPR35 (0.56) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL3028110 0.81 KMT2A (0.67) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL5387716 0.79 PHGDH (0.54) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL7221806 0.78 GPR35 (0.56) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL19117 0.77 GAA (0.60) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL30092621 0.77 ALDH1A1 (0.62) GPR35ALDH1A1TSHRTP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627456-B1 Incorporating into the oligonucleotide analogs that are the components of a library to which in vitro selection methods functionalized standard and non-standard nucleotides, and incorporating functionalized cofactors into the experiment BENNER, STEVEN 2003-09-30 US disclosed
US-5965364-A Method for selecting functional deoxyribonucleotide derivatives BENNER, STEVEN 1999-10-12 US disclosed
EP-0026000-B1 SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-05-11 EP disclosed
US-4362740-A ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-12-07 US disclosed
EP-0026000-A1 Spiro compounds, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-04-01 EP disclosed