SCHEMBL13700511

SCHEMBL13700511

O=C(C=Cc1cc(CCO)cc(-n2nc3ccccc3n2)c1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.37
PTGS1 P23219 2/20 0.36

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
SCHEMBL13700517 0.93 TYR (0.40) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13699459 0.92 GRM5 (0.40) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13699493 0.92 TYR (0.40) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13700533 0.91 TYR (0.38) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13700519 0.91 NPC1 (0.39) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13699495 0.90 CYP3A4 (0.41) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13699489 0.90 TYR (0.37) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13700516 0.90 CYP1A1 (0.40) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13699363 0.90 ALDH1A1 (0.45) TYRRAB9ANPC1NFKB1NFKB2
SCHEMBL13699505 0.90 MAOB (0.43) TYRRAB9ANPC1SMN1; SMN2ALDH1A1

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