SCHEMBL13699495

SCHEMBL13699495

O=C(/C=C\c1cc(CCO)cc(-n2nc3cccnc3n2)c1O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TYR P14679 1/20 0.38
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GRM5 P41594 1/20 0.35
HPGD P15428 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PTGS1 P23219 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 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
SCHEMBL13700511 0.90 TYR (0.43) CYP3A4TYRNPC1RAB9ANFKB1
SCHEMBL13699493 0.85 TYR (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700517 0.84 TYR (0.40) CYP3A4TYRNPC1RAB9ANFKB1
SCHEMBL13699506 0.83 KDM4E (0.36) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL13699459 0.83 GRM5 (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700533 0.82 TYR (0.38) CYP3A4TYRNPC1RAB9ANFKB1
SCHEMBL13700519 0.82 NPC1 (0.39) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13699489 0.81 TYR (0.37) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700516 0.81 CYP1A1 (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13699505 0.81 MAOB (0.43) TYRNPC1RAB9AALDH1A1SMN1; SMN2

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