SCHEMBL11065207

SCHEMBL11065207

O=[N+]([O-])c1cccc(C[C@H]2CO2)c1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.35
ACP1 P24666 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SLC5A2 P31639 1/20 0.34

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
SCHEMBL8818395 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL9710144 0.79 GPR35 (0.46) ALDH1A1L3MBTL1GPR35TSHRCA12
SCHEMBL4872833 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL27825182 0.79 CTSB (0.36) ALDH1A1CA12KMT2AMEN1TDP1
SCHEMBL981024 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1GPR35KMT2A
SCHEMBL1787921 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1GPR35KMT2A
SCHEMBL9654903 0.78 PRMT5 (0.40) PRMT5WDR77ALDH1A1GPR35TSHR
SCHEMBL336604 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1GPR35KMT2A
SCHEMBL981027 0.78 KMT2A (0.41) PRMT5WDR77ALDH1A1GPR35KMT2A
SCHEMBL6223771 0.78 PRMT5 (0.40) PRMT5WDR77ALDH1A1GPR35TSHR

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
US-4438107-A Aminoglycosides and use thereof KOWA COMPANY, LTD. (JP) 1984-03-20 US disclosed
EP-0071251-A1 Novel aminoglycosides and use thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-02-09 EP disclosed