SCHEMBL13699502

SCHEMBL13699502

OCCc1cc(C=Nc2ccccc2)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
KDM4E B2RXH2 5/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL13700475 0.89 KDM4E (0.40) SIRT2MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL13700477 0.85 MAOB (0.41) PTGS2MAPTALDH1A1HPGDNPSR1
SCHEMBL13700478 0.85 NPC1 (0.37) SIRT2MAPTALDH1A1HPGDNPSR1
SCHEMBL13700479 0.84 PRMT5 (0.37) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13699488 0.83 CA2 (0.38) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13700459 0.83 POLB (0.35) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13700476 0.82 MAOB (0.46) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13700483 0.82 MEN1 (0.39) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13700481 0.81 GAA (0.44) SIRT2MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL13700516 0.80 CYP1A1 (0.40) NPC1RAB9ANFKB1NFKB2RELA

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