SCHEMBL5508151

SCHEMBL5508151

Nc1ccc2c(F)c(N)c(F)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP6 P55212 2/20 0.36
NSD2 O96028 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CASP1 P29466 3/20 0.35
CASP7 P55210 2/20 0.35
HBB P68871 2/20 0.35
HIF1A Q16665 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL17787997 0.82 LMNA (0.50) ALDH1A1CYP3A4HSD17B10HIF1AALOX15
SCHEMBL5509999 0.80 ESR1 (0.40) ALDH1A1HSD17B10CASP1CASP7ALOX15
SCHEMBL5514071 0.77 EGFR (0.34) KCNH2
SCHEMBL3823621 0.77 HPRT1 (0.41) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL7923189 0.77 PLAU (0.44) PLAUALDH1A1CYP3A4HSD17B10CASP6
SCHEMBL31610284 0.77 HPRT1 (0.41) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL5513548 0.72 PLAU (0.44) PLAUALDH1A1CYP3A4HSD17B10CASP6
SCHEMBL31610219 0.72 MDM4 (0.35) PLAUALDH1A1CYP3A4HSD17B10CASP6
SCHEMBL31610158 0.70 ALDH1A1 (0.61) PLAUALDH1A1CYP3A4HSD17B10CASP6
SCHEMBL5518507 0.70 PLAU (0.36) PLAUALDH1A1CASP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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