SCHEMBL13699505

SCHEMBL13699505

O=C(/C=C\c1cc(CCO)cc(-n2nc3ccc([N+](=O)[O-])cc3n2)c1O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
MAPT P10636 4/20 0.43
BCHE P06276 1/20 0.43
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NTSR1 P30989 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DBH P09172 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
MAOA P21397 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
SCHEMBL13700511 0.90 TYR (0.43) MAOBMAPTBCHECYP1B1ALDH1A1
SCHEMBL13700517 0.87 TYR (0.40) MAPTBCHEALDH1A1LMNAMEN1
SCHEMBL13699459 0.86 GRM5 (0.40) MAOBMAPTCYP1B1ALDH1A1LMNA
SCHEMBL13699493 0.86 TYR (0.40) MAOBMAPTALDH1A1LMNAMEN1
SCHEMBL13699489 0.85 TYR (0.37) MAOBMAPTALDH1A1LMNAMEN1
SCHEMBL13700519 0.85 NPC1 (0.39) MAPTBCHEALDH1A1LMNAMEN1
SCHEMBL13700533 0.85 TYR (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13700516 0.84 CYP1A1 (0.40) MAOBCYP1B1NPC1RAB9ATYR
SCHEMBL13699363 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNAPOLBNPC1
SCHEMBL13700535 0.83 MAPT (0.42) MAPTALDH1A1LMNAMEN1KMT2A

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 5 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-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
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