SCHEMBL216627

SCHEMBL216627

C=Cc1ccc2c(C#N)ccc(Br)c2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.33
SRC P12931 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DYRK1A Q13627 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL214636 0.83 ALDH1A1 (0.43) ALDH1A1ESR1ESR2
SCHEMBL31335110 0.83 ALDH1A1 (0.43) ALDH1A1ESR1ESR2
SCHEMBL16958152 0.82 ALDH1A1 (0.39) SRCALDH1A1LMNAMAOAMAOB
SCHEMBL16959333 0.82 ALDH1A1 (0.39) ALKSRCALDH1A1LMNAMAOA
SCHEMBL16956451 0.75 ALDH1A1 (0.43) ALDH1A1IMPDH2IMPDH1LMNAMAOA
SCHEMBL18105636 0.75 TRPV4 (0.36) ALDH1A1IMPDH2IMPDH1MAOAMAOB
SCHEMBL215089 0.75 TP53 (0.38) ALDH1A1ESR1ESR2
SCHEMBL216068 0.75 TRPA1 (0.44) ALDH1A1ESR1ESR2
SCHEMBL1343517 0.71 IMPDH2 (0.52) ALDH1A1IMPDH2IMPDH1DYRK1A
SCHEMBL214651 0.71 ESR1 (0.35) ALDH1A1ESR1ESR2

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
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
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