SCHEMBL1759845

SCHEMBL1759845

O=[N+]([O-])c1ccc(Sn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
MAPT P10636 10/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
MITF O75030 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
RECQL P46063 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
MGLL Q99685 4/20 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
SCHEMBL1759488 0.77 MAPT (0.50) MAPTLMNAGAAMEN1KMT2A
SCHEMBL15082112 0.76 ALDH1A1 (0.47) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL3868313 0.75 ALDH1A1 (0.56) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL7515416 0.75 ALDH1A1 (0.57) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL3296417 0.74 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL1032814 0.72 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL6161726 0.72 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL30128616 0.72 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL3990991 0.71 TXNRD1 (0.75) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL6039967 0.71 TXNRD1 (0.74) TXNRD1TXNRD3TXNRD2MAPTLMNA

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
WO-2011060113-A1 SULFENAMIDE COMPOUNDS FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2011-05-19 WO disclosed
WO-2011060113-A1 SULFENAMIDE COMPOUNDS FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2011-05-19 WO disclosed