SCHEMBL3868313

SCHEMBL3868313

O=[N+]([O-])c1ccc(Sn2nnc3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
MAPT P10636 6/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
XBP1 P17861 1/20 0.48
RECQL P46063 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 4/20 0.47
MGAM O43451 2/20 0.46
AMY1A P0DUB6 2/20 0.46
SI P14410 2/20 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
SCHEMBL6298273 0.75 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1759845 0.75 TXNRD1 (0.55) ALDH1A1KMT2AMEN1TXNRD1TXNRD3
SCHEMBL15082112 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TXNRD1TXNRD3
SCHEMBL7746341 0.72 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL3733548 0.71 KMT2A (0.54) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL3296417 0.69 TXNRD1 (0.64) ALDH1A1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL29475408 0.69 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL15555682 0.69 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTNPSR1
Dinitrophenylene SCHEMBL27527572 0.68 ATM (0.62) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6161726 0.68 TXNRD1 (0.78) ALDH1A1KMT2AMEN1TXNRD1TXNRD3

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-7601291-B2 Ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2009-10-13 US disclosed
US-20070139497-A1 INK-JET RECORDING APPARATUS BROTHER KOGYO KABUSHIKI KAISHA (JP) 2007-06-21 US disclosed