SCHEMBL13699450

SCHEMBL13699450

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.39
BACE1 P56817 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.36
JAK2 O60674 7/20 0.34
JAK1 P23458 7/20 0.34
TYK2 P29597 7/20 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
SCHEMBL13699485 0.90 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL13699390 0.89 KDM4E (0.40) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL13700400 0.85 CYP4A11 (0.49) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL13700399 0.84 CA12 (0.48) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700404 0.83 MAPT (0.39) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL13699478 0.82 KMT2A (0.39) KMT2AKDM4EALDH1A1HPGDPOLB
SCHEMBL13700405 0.82 ALDH1A1 (0.49) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL13699492 0.81 ERN1 (0.37) KMT2AKDM4EALDH1A1HPGDPOLB
SCHEMBL29517159 0.80 LMNA (0.58) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL77763 0.80 LMNA (0.58) KMT2AMEN1KDM4EALDH1A1HPGD

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