SCHEMBL13699422

SCHEMBL13699422

Cc1cc(CCO)cc(-n2nc3cccnc3n2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 3/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SLC22A12 Q96S37 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
RET P07949 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL30240966 0.86 NPC1 (0.50) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL74479 0.86 NPC1 (0.50) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13700644 0.85 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13700637 0.85 GAA (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13700645 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13699506 0.83 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13700641 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTLMNA
Diethylamine SCHEMBL7566058 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL30240896 0.79 NPC1 (0.48) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL74902 0.79 NPC1 (0.48) KDM4EALDH1A1HPGDMAPTLMNA

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