SCHEMBL216389

SCHEMBL216389

C=Cc1ccc2c(Cl)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.48
CYP2A6 P11509 3/20 0.48
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.33
PARP1 P09874 1/20 0.33
NR4A2 P43354 1/20 0.32
TRPA1 O75762 1/20 0.31
CHEK1 O14757 1/20 0.31
ADRA2A P08913 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL215676 0.85 CYP2A6 (0.48) CYP1A2CYP2A6TP53TDP1ALDH1A1
SCHEMBL5406345 0.81 ALDH1A1 (0.50) CYP1A2CYP2A6TP53TDP1ALDH1A1
SCHEMBL12986970 0.78 TP53 (0.41) CYP1A2TP53TDP1ALDH1A1CYP2C9
SCHEMBL16289907 0.78 TP53 (0.41) CYP1A2TP53TDP1ALDH1A1MEN1
SCHEMBL29592963 0.78 TP53 (0.41) CYP1A2TP53TDP1ALDH1A1CYP2C9
SCHEMBL214650 0.77 SLC9A1 (0.41) CYP1A2TP53TDP1ALDH1A1MEN1
SCHEMBL16289909 0.77 CYP1A2 (0.57) CYP1A2CYP2A6TP53TDP1ALDH1A1
SCHEMBL472325 0.77 PLAU (0.53) CYP1A2TP53TDP1HSD17B1HSD17B2
SCHEMBL29742946 0.77 PLAU (0.53) CYP1A2TP53TDP1HSD17B1HSD17B2
SCHEMBL214973 0.77 TP53 (0.39) CYP1A2TP53TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780600-B1 LOWER LAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY INCLUDING NAPHTHALENE RING HAVING HALOGEN ATOM NISSAN CHEMICAL IND LTD (JP) 2014-02-26 EP disclosed
US-8088546-B2 Underlayer coating forming composition for lithography containing naphthalene ring having halogen atom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-03 US disclosed
CN-1977220-B Lower layer film forming composition for lithography including naphthalene ring having halogen atom NISSAN CHEMICAL IND LTD 2010-12-01 CN disclosed
US-20070238029-A1 Underlayer Coating Forming Composition for Lithography Containing Naphthalene Ring Having Halogen Atom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-11 US disclosed
EP-1780600-A1 LOWER LAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY INCLUDING NAPHTHALENE RING HAVING HALOGEN ATOM Nissan Chemical Industries, Ltd. (JP) 2007-05-02 EP disclosed