SCHEMBL13699458

SCHEMBL13699458

CCNC(=O)c1ccc2nn(-c3cc(CCO)cc(C#N)c3O)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LRRK2 Q5S007 1/20 0.36
TTK P33981 1/20 0.36
MAPT P10636 3/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
TP53 P04637 2/20 0.34
AR P10275 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 2/20 0.33
CCL2 P13500 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ACSS2 Q9NR19 1/20 0.32

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
SCHEMBL13700502 0.86 CYP4A11 (0.41) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700414 0.86 MAPT (0.38) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL13700496 0.86 ALDH1A1 (0.40) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13699503 0.86 ALDH1A1 (0.44) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700499 0.85 HSD17B10 (0.41) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700703 0.85 MAPT (0.37) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL13699457 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13699412 0.84 MAPT (0.37) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL13700464 0.83 GAA (0.37) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL13700442 0.83 HSP90AA1 (0.37) KDM4EALDH1A1HPGDMAPTTP53

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