SCHEMBL5376089

SCHEMBL5376089

Nc1cc2c3c(cccc3c1)C=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CASP1 P29466 3/20 0.37
ALOX15 P16050 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLAU P00749 1/20 0.35
RECQL P46063 2/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.33
FTO Q9C0B1 1/20 0.33
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 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
SCHEMBL8714064 0.76 CYP1A2 (0.39) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL26037 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL8872842 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL29575794 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL5033508 0.74 CYP2A6 (0.38) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL8766388 0.74 ALDH1A1 (0.31) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL5031545 0.74 CYP1A2 (0.39) ALDH1A1CYP3A4HSD17B10TDP1MEN1
SCHEMBL120783 0.74 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10ALOX15CASP7
SCHEMBL5372675 0.74 ALDH1A1 (0.31) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL551412 0.74 NPSR1 (0.42) ALDH1A1CYP3A4HSD17B10MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541811-B Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD 2014-07-09 CN disclosed
CN-101541811-A Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD (JP) 2009-09-23 CN disclosed
US-20070248911-A1 Pattern forming method and bilayer film IWASAWA HARUO 2007-10-25 US disclosed
US-7244549-B2 Pattern forming method and bilayer film JSR CORPORATION (JP) 2007-07-17 US disclosed
US-6852791-B2 Anti-reflection coating forming composition JSR CORPORATION (JP) 2005-02-08 US disclosed
EP-1205805-B1 Anti-reflection coating forming composition JSR CORP (JP) 2004-09-15 EP disclosed
US-20030073040-A1 Pattern forming method and bilayer film JSR CORPORATION (JP) 2003-04-17 US disclosed
US-20020086934-A1 Anti-reflection coating forming composition JSR CORPORATION (JP) 2002-07-04 US disclosed
EP-1205805-A1 Anti-reflection coating forming composition JSR Corporation (JP) 2002-05-15 EP disclosed