SCHEMBL9999558

SCHEMBL9999558

NCOc1ccc2ncccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.40
HTT P42858 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
ATM Q13315 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TGFBR1 P36897 4/20 0.36

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
SCHEMBL28987897 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL18635352 0.77 L3MBTL1 (0.40) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL31531064 0.77 MEN1 (0.56) ALDH1A1CYP3A4MAPTKDM4ETP53
SCHEMBL30406083 0.77 PDGFRB (0.47) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL622722 0.77 PDGFRB (0.47) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL2175202 0.73 LOXL2 (0.46) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL18635305 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL22778801 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL22778720 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4HTTMAPTKDM4E
SCHEMBL29150381 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4HTTMAPTKDM4E

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
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
WO-2011132751-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 WO disclosed