SCHEMBL214636

SCHEMBL214636

C=Cc1ccc2c(Br)ccc(Br)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.33
TYMS P04818 1/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 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
SCHEMBL31335110 1.00 ALDH1A1 (0.43) ALDH1A1TDP1TP53ESR1ESR2
SCHEMBL215089 0.86 TP53 (0.38) ALDH1A1TDP1TP53ESR1ESR2
SCHEMBL216068 0.86 TRPA1 (0.44) ALDH1A1ESR1ESR2TRPA1MAPT
SCHEMBL216627 0.83 ALK (0.33) ALDH1A1ESR1ESR2
SCHEMBL214651 0.82 ESR1 (0.35) ALDH1A1TDP1TP53ESR1ESR2
SCHEMBL215063 0.80 MCL1 (0.43) ESR1ESR2
SCHEMBL214229 0.79 ALDH1A1 (0.40) ALDH1A1TDP1TSHRMAPT
SCHEMBL2788648 0.78 ALDH1A1 (0.50) ALDH1A1TDP1TP53TRPA1TSHR
SCHEMBL2878046 0.77 ALDH1A1 (0.45) ALDH1A1TDP1TSHR
SCHEMBL215805 0.77 TYR (0.35) ALDH1A1TDP1TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166324-A Thermosetting resin composition 日产化学株式会社 2021-07-23 CN disclosed
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-100509723-C 5,8-dibro-2-vinylnaphthaline and preparation method thereof NIPPON STEEL CHEMICAL CO (JP) 2009-07-08 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
JP-2006028022-A 5,8-DIBROMO-2-VINYLNAPHTHALENE AND METHOD FOR PRODUCING THE SAME NIPPON STEEL CHEM CO LTD 2006-02-02 JP disclosed
CN-1721382-A 5,8-dibro-2-vinylnaphthaline and its preparation method NIPPON STEEL CHEMICAL CO (JP) 2006-01-18 CN disclosed