SCHEMBL28774597

SCHEMBL28774597

C=C(C#N)C#N.C=C(C#N)C#N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 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
SCHEMBL136969 1.00
Methane SCHEMBL28037662 0.95
SCHEMBL28167750 0.95
SCHEMBL14353373 0.95
Ethyne SCHEMBL28881511 0.91
SCHEMBL7645560 0.88 TDP1 (0.41) TDP1
SCHEMBL6530240 0.88 TDP1 (0.60) TDP1ALDH1A1
SCHEMBL28430097 0.88
Cyclopropane SCHEMBL21879998 0.88
Benzene SCHEMBL27445690 0.88 TDP1 (0.41) TDP1ALDH1A1

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
CN-101236214-A Motion sensor, accelerometer, inclination sensor, pressure sensor, and tactile controller YAMAHA CORP (JP) 2008-08-06 CN disclosed