SCHEMBL30205446

SCHEMBL30205446

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 2/20 0.52
USP2 O75604 2/20 0.52
TIMP3 P35625 2/20 0.52
RECQL P46063 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
ENPP3 O14638 1/20 0.52
ENTPD3 O75355 1/20 0.52

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
SCHEMBL11431850 0.92 HPGD (0.62) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL11426047 0.92 HPGD (0.62) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL11437898 0.90 HPGD (0.59) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL11424949 0.90 HPGD (0.59) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL11437122 0.89 HPGD (0.66) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL11431688 0.89 HPGD (0.66) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL11431789 0.87 HPGD (0.60) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL3300801 0.87 MEN1 (0.64) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL26983156 0.86 MEN1 (0.62) HPGDALDH1A1MAPTPOLBMEN1
SCHEMBL12903147 0.85 P2RY11 (0.49) HPGDALDH1A1MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077830-B2 Methods for detecting norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2024-09-03 US disclosed
US-20230279513-A1 METHODS FOR DETECTING NOROVIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-09-07 US disclosed
US-11555223-B2 Methods for detecting Norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-01-17 US disclosed