SCHEMBL3358276

SCHEMBL3358276

O=S(=O)(O)c1ccc(-c2c(O)nc(-c3ccccc3)nc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PHGDH O43175 1/20 0.45
ENPP2 Q13822 1/20 0.43
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NTSR1 P30989 1/20 0.41
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP14 P50281 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3359431 1.00 TSHR (0.47) TSHRSMN1; SMN2PHGDHENPP2POLB
SCHEMBL3359240 0.86 ENPP2 (0.42) ENPP2LMNAMEN1KMT2ACA2
SCHEMBL5182269 0.82 MEN1 (0.50) TSHRPOLBLMNAMEN1KMT2A
Hydroquinone SCHEMBL1286582 0.77 MEN1 (0.60) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL30029777 0.76 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6LMNA
SCHEMBL21993467 0.76 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6LMNA
SCHEMBL15849846 0.76 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6LMNA
SCHEMBL34718 0.76 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6LMNA
SCHEMBL7847821 0.76 NR1H4 (0.51) SMN1; SMN2POLBMEN1KMT2ANTSR1
SCHEMBL3361558 0.76 ALOX5 (0.50) POLBLMNAMEN1KMT2ANTSR1

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
US-20100081031-A1 POLYMER ELECTROLYTE MEMBRANE FOR DIRECT METHANOL FUEL CELL AND DIRECT METHANOL FUEL CELL KABUSHIKI KAISHA TOSHIBA (JP) 2010-04-01 US disclosed