SCHEMBL7050692

SCHEMBL7050692

N#CC(C#N)=C1CC(=C(C#N)C#N)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
USP47 Q96K76 1/20 0.35
GPR35 Q9HC97 1/20 0.31
PDK2 Q15119 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL21795577 0.86 CA1 (0.39) EGFRCA1CA2CA7CA9
SCHEMBL7043705 0.86 CA1 (0.39) EGFRCA1CA2CA7CA9
SCHEMBL30632305 0.86 CA1 (0.39) EGFRCA1CA2CA7CA9
SCHEMBL30853835 0.86 CA1 (0.39) EGFRCA1CA2CA7CA9
SCHEMBL10049509 0.80 EGFR (0.40) EGFR
SCHEMBL7047553 0.79 EGFR (0.44) EGFRCA1CA2CA7CA9
SCHEMBL10018080 0.78 USP8 (0.31) CA1CA2CA7CA9USP8
SCHEMBL7049233 0.78 EGFR (0.38) EGFRUSP8USP7USP47PDK2
SCHEMBL7046864 0.78 EGFR (0.38) EGFRCA1CA2CA7CA9
SCHEMBL7044925 0.78 EGFR (0.38) EGFRPDK2ALDH1A1GAAMAPT

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-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-8120019-B2 Organic light-emitting element having tetracyano compound and display device CANON KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
US-20090166615-A1 ORGANIC LIGHT-EMITTING ELEMENT AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-07-02 US disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed