SCHEMBL13700495

SCHEMBL13700495

CCc1ccc2nn(-c3cc(CCO)cc(C#N)c3O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
RORC P51449 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 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
SCHEMBL13699455 0.87 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13700706 0.86 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13700488 0.86 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13699467 0.85 KDM4E (0.42) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13700499 0.84 HSD17B10 (0.41) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13700406 0.83 MAPT (0.39) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13700502 0.83 CYP4A11 (0.41) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13700496 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13699510 0.82 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL13699454 0.82 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPK1POLB

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