SCHEMBL13699490

SCHEMBL13699490

O=[N+]([O-])c1ccc2nn(-c3cc(CCO)cc(C=NP)c3O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL13700474 0.87 MEN1 (0.48) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13700476 0.86 MAOB (0.46) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13700723 0.82 MEN1 (0.49) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13699471 0.82 MEN1 (0.49) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13700492 0.79 MEN1 (0.47) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13700422 0.79 MEN1 (0.47) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13700431 0.79 MEN1 (0.47) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13699505 0.79 MAOB (0.43) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13699442 0.78 MEN1 (0.65) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL13700475 0.72 KDM4E (0.40) KMT2AMEN1POLBALDH1A1MAPT

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
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed