SCHEMBL13699390

SCHEMBL13699390

O=C(O)c1ccc2nn(-c3cc(CCO)ccc3O)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
ALOX5 P09917 1/20 0.40
BACE1 P56817 1/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MYC P01106 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL13700389 0.90 MEN1 (0.41) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL13699450 0.89 KMT2A (0.41) KDM4EALDH1A1MAPTGAAALOX5
SCHEMBL2030717 0.87 RARB (0.46) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL13700400 0.86 CYP4A11 (0.49) KDM4EALDH1A1MAPTGAAALOX5
SCHEMBL13700405 0.85 ALDH1A1 (0.49) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL2401376 0.85 MYC (0.51) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL13700399 0.85 CA12 (0.48) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL13700404 0.84 MAPT (0.39) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL13699440 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL77763 0.81 LMNA (0.58) KDM4EALDH1A1MAPTGAAALOX5

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