SCHEMBL9469714

SCHEMBL9469714

CCCCC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.43
CNR1 P21554 17/20 0.43
AR P10275 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL18531363 0.85 CNR2 (0.46) CNR2CNR1
SCHEMBL9470241 0.84 MCL1 (0.44) ARSLC6A4
SCHEMBL10704064 0.79 CNR2 (0.45) CNR2CNR1
SCHEMBL29716646 0.77 KIF11 (0.42) ARSLC6A4
SCHEMBL1893774 0.77 KIF11 (0.42) ARSLC6A4
SCHEMBL11404984 0.75 CNR2 (0.53) CNR2CNR1
Bicarbonate SCHEMBL10586527 0.75 CNR1 (0.44) CNR2CNR1
SCHEMBL9227867 0.74 CNR2 (0.46) CNR2CNR1
SCHEMBL10688950 0.74 CNR2 (0.52) CNR2CNR1
SCHEMBL10685133 0.73 CNR2 (0.55) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34480-E Naphthalocyanine compounds YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1993-12-14 US disclosed
US-4622179-A INFRARED RAYS ABSORBERS YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1986-11-11 US disclosed
EP-0134518-A1 Naphthalocyanine compounds Yamamoto Chemicals, Inc. (JP) 1985-03-20 EP disclosed