SCHEMBL8961905

SCHEMBL8961905

Cc1cc(C)c(OC#N)c(Cc2cc(C)cc(C)c2OC#N)c1.Cc1ccc(OC#N)c(Cc2cc(C)ccc2OC#N)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.35
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4449148 0.87 AMY1A (0.39) AMY1AMAPTARTAAR1ALDH1A1
SCHEMBL8961822 0.87 AR (0.36) AMY1AARGAATSHR
SCHEMBL27516451 0.76 L3MBTL1 (0.40) MAPTL3MBTL1KDM4EARGAA
SCHEMBL29489134 0.75 GAA (0.44) MAPTL3MBTL1ARGAAALDH1A1
SCHEMBL8985167 0.75 GAA (0.44) MAPTL3MBTL1ARGAAALDH1A1
SCHEMBL10629452 0.74 AR (0.34) MAPTKDM4EARLMNAALDH1A1
SCHEMBL30002851 0.73 ACHE (0.48) MAPTARGAAACHETSHR
SCHEMBL20866062 0.73 ACHE (0.48) MAPTARGAAACHETSHR
SCHEMBL9287974 0.73 AR (0.38) MAPTKDM4EARGAALMNA
SCHEMBL17771265 0.73 PYCR1 (0.36) MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488144-A Bifunctional aromatic cyanates, prepolymers and electrical laminates made therefrom KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-30 US disclosed