SCHEMBL13699442

SCHEMBL13699442

O=[N+]([O-])c1ccc2nn(-c3cc(CCO)ccc3O)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TSHR P16473 2/20 0.49
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
ERN1 O75460 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL13699386 0.90 MEN1 (0.67) MEN1KMT2ATSHRTXNRD1TXNRD3
SCHEMBL13700723 0.82 MEN1 (0.49) MEN1KMT2ATSHRTXNRD1TXNRD3
SCHEMBL13699471 0.82 MEN1 (0.49) MEN1KMT2ATSHRTXNRD1TXNRD3
SCHEMBL13700474 0.81 MEN1 (0.48) MEN1KMT2ATSHRTXNRD1TXNRD3
SCHEMBL25407918 0.81 KMT2A (0.53) MEN1KMT2AERN1ALDH1A1HPGD
SCHEMBL110256 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL29381890 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL29517159 0.80 LMNA (0.58) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL77763 0.80 LMNA (0.58) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL13700492 0.80 MEN1 (0.47) MEN1KMT2ATSHRTXNRD1TXNRD3

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-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed