SCHEMBL13699419

SCHEMBL13699419

NC(=O)c1ccc2nn(-c3ccc4c(OCCO)nccc4c3O)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.37
▸ MET P08581 2/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ CSNK2A2 P19784 3/20 0.31
▸ CSNK2B P67870 3/20 0.31
▸ PKN1 Q16512 1/20 0.31
▸ PKN2 Q16513 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL13700629 0.91 MET (0.35) METPARP1CSNK2A1HIPK2ROCK2
SCHEMBL13700610 0.91 PARP1 (0.44) METPARP1CSNK2A1CSNK2A2CSNK2B
SCHEMBL13700612 0.88 KDM4E (0.38) PARP1CSNK2A2CSNK2B
SCHEMBL13699420 0.87 PLK1 (0.35) METPARP1
SCHEMBL13700615 0.87 NPC1 (0.41) PKN1PKN2HPGD
SCHEMBL13700617 0.84 ALDH1A1 (0.39) PARP1HPGD
SCHEMBL13699491 0.83 NPC1 (0.37) HPGD
SCHEMBL13700600 0.83 KMT2A (0.33) HPGD
SCHEMBL13700596 0.83 ACSS2 (0.36) PARP1HPGD
SCHEMBL13700627 0.82 PARP1 (0.39) PARP1CSNK2A1CSNK2A2CSNK2B

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
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