SCHEMBL2179670

SCHEMBL2179670

Oc1ccccc1-n1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
PTGS2 P35354 1/20 0.47
NSD3 Q9BZ95 1/20 0.45
FAAH O00519 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
MAPK14 Q16539 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 3/20 0.43
FGFR1 P11362 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28874979 0.81 MAPK13 (0.44) PTGS2NSD3FAAHMAPK13MAPK12
SCHEMBL27987826 0.79 HCAR1 (0.50) ALDH1A1PTGS2FAAHMAPK13MAPK12
SCHEMBL5720398 0.78 FAAH (0.56) ALDH1A1PTGS2NSD3FAAHMAPK13
SCHEMBL27639359 0.78 FAAH (0.56) ALDH1A1PTGS2NSD3FAAHMAPK13
SCHEMBL28845537 0.78 ALDH1A1 (0.49) ALDH1A1NSD3FAAHMAPK13MAPK12
SCHEMBL27316054 0.75 PKM (0.50) ALDH1A1PTGS2NSD3FAAHMAPK13
SCHEMBL7201127 0.74 FGFR1 (0.57) ALDH1A1PTGS2NSD3FAAHMAPK13
SCHEMBL21135009 0.71 AKT1 (0.43) ALDH1A1HPGDHSD17B10NSD3FAAH
SCHEMBL5574792 0.71 NSD3 (0.55) PTGS2NSD3FAAHKDM4EMAPT
SCHEMBL28111191 0.71 FAAH (0.53) ALDH1A1PTGS2NSD3FAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340463-A1 IMAGING PARTICULATE COMPOSITION, PAPER AND PROCESS, AND IMAGING OF PAPER USING DUAL WAVELENGTH LIGHT International Paper Company (US) 2011-07-06 EP disclosed