SCHEMBL13700474

SCHEMBL13700474

O=Cc1cc(CCO)cc(-n2nc3ccc([N+](=O)[O-])cc3n2)c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ERN1 O75460 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL13699490 0.87 KMT2A (0.45) MEN1KMT2ATSHRPOLBTXNRD1
SCHEMBL13699471 0.85 MEN1 (0.49) MEN1KMT2ATSHRPOLBTXNRD1
SCHEMBL13700723 0.85 MEN1 (0.49) MEN1KMT2ATSHRPOLBTXNRD1
SCHEMBL13699498 0.85 KDM4E (0.43) ERN1POLBALDH1A1MAPT
SCHEMBL13700476 0.84 MAOB (0.46) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL13700471 0.83 ERN1 (0.36) ERN1POLBALDH1A1MAPT
SCHEMBL13700431 0.83 MEN1 (0.47) MEN1KMT2ATSHRPOLBTXNRD1
SCHEMBL13700492 0.83 MEN1 (0.47) MEN1KMT2ATSHRPOLBTXNRD1
SCHEMBL13700422 0.83 MEN1 (0.47) MEN1KMT2ATSHRPOLBTXNRD1
SCHEMBL13699505 0.82 MAOB (0.43) MEN1KMT2APOLBALDH1A1MAPT

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 4 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-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
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed