SCHEMBL5514092

SCHEMBL5514092

Nc1cc(F)c2cc(N)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PLAU P00749 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 3/20 0.38
F2 P00734 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL5522364 0.81 ESR1 (0.59) ESR1ESR2
SCHEMBL27620147 0.77 HTR6 (0.38) TDP1MAPTKCNH2ESR1ESR2
SCHEMBL7752886 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL31722811 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL7923189 0.76 PLAU (0.44) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
Hydrochloric Acid SCHEMBL11804461 0.76 HPRT1 (0.45) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL2445157 0.75 ALDH1A1 (0.57) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL14742694 0.73 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL31610158 0.73 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL8121539 0.72 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10TDP1ALOX15

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
CN-100478364-C Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2009-04-15 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
CN-1732189-A Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2006-02-08 CN disclosed