SCHEMBL4020188

SCHEMBL4020188

NCc1cccc2cc(N)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.55
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 3/20 0.45
CASP1 P29466 3/20 0.43
ALOX15 P16050 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.41
HTR2A P28223 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.38
PNMT P11086 2/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL30394455 0.86 PLAU (0.53) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL4023144 0.86 PLAU (0.53) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL2791890 0.83 PLAU (0.50) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL28831355 0.82 PLAU (0.58) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL2793855 0.80 PLAU (0.47) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL4847363 0.80 ROCK1 (0.49) HTR2ALOXL2PNMT
SCHEMBL21634588 0.79 HTR2A (0.52) ALDH1A1HSD17B10HTR2ALOXL2PNMT
SCHEMBL15345334 0.78 HTR2A (0.39) PLAUHTR2ALOXL2PNMTHTT
SCHEMBL15345565 0.78 IDH1 (0.47) PLAUHTR2ACYP1A2
SCHEMBL15345459 0.78 PNMT (0.45) CYP3A4HTR2ALOXL2PNMTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224370-A1 Liquid-Crystal Aligning Agent, Liquid-Crystal Alignment Film Comprising the Same, and Liquid-Crystal Element NISSAN CHEMICALS INDUSTRIES, LTD. (JP) 2007-09-27 US claimed
CN-105492535-B Composition for forming cured film, alignment material, and phase difference material 日产化学工业株式会社 2018-03-16 CN disclosed
US-7498068-B2 Liquid-crystal aligning agent, liquid-crystal alignment film comprising the same, and liquid-crystal element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-03 US disclosed
US-20070224370-A1 Liquid-Crystal Aligning Agent, Liquid-Crystal Alignment Film Comprising the Same, and Liquid-Crystal Element NISSAN CHEMICALS INDUSTRIES, LTD. (JP) 2007-09-27 US disclosed