SCHEMBL216068

SCHEMBL216068

C=Cc1ccc2c(O)ccc(Br)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
IDO1 P14902 1/20 0.33
ALOX15 P16050 1/20 0.33
LCK P06239 1/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33

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
SCHEMBL31335304 0.86 TRPA1 (0.52) TRPA1ESR1ESR2ALDH1A1MEN1
SCHEMBL15946479 0.86 TRPA1 (0.52) TRPA1ESR1ESR2ALDH1A1MEN1
SCHEMBL31335110 0.86 ALDH1A1 (0.43) TRPA1ESR1ESR2ALDH1A1CCNB2
SCHEMBL214636 0.86 ALDH1A1 (0.43) TRPA1ESR1ESR2ALDH1A1CCNB2
SCHEMBL9305646 0.78 AKR1C3 (0.53) TRPA1ESR1ESR2ALDH1A1AKR1C3
SCHEMBL2885475 0.78 TRPA1 (0.52) TRPA1ALDH1A1MEN1KMT2AALOX15
SCHEMBL31380876 0.78 TRPA1 (0.52) TRPA1ALDH1A1MEN1KMT2AALOX15
SCHEMBL215089 0.78 TP53 (0.38) TRPA1ESR1ESR2ALDH1A1MAPT
SCHEMBL215063 0.76 MCL1 (0.43) ESR1ESR2AKR1C3AKR1C2MEN1
SCHEMBL216627 0.75 ALK (0.33) ESR1ESR2ALDH1A1

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