SCHEMBL13700397

SCHEMBL13700397

CCc1ccc2nn(-c3cc(CCO)ccc3O)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 8/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 4/20 0.42
BACE1 P56817 2/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
TRPA1 O75762 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RORC P51449 1/20 0.38
TP53 P04637 2/20 0.37
CNR1 P21554 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
SCHEMBL13700392 0.89 NPC1 (0.47) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL77763 0.84 LMNA (0.58) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL29517159 0.84 LMNA (0.58) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL7566832 0.84 MAPT (0.42) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL13700700 0.84 KDM4E (0.43) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL9408806 0.83 NPC1 (0.66) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL13700399 0.83 CA12 (0.48) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL13700406 0.83 MAPT (0.39) NPC1RAB9ALMNAMAPTKDM4E
Hydrogen Sulfide SCHEMBL8439446 0.83 LMNA (0.56) NPC1RAB9ALMNAMAPTKDM4E
Ammonia Solution, Strong SCHEMBL8437470 0.83 LMNA (0.56) NPC1RAB9ALMNAMAPTKDM4E

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 2 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