SCHEMBL5152652

SCHEMBL5152652

C=C(C)C#N.CC=CC#N.CCC=CC#N

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5152647 1.00 TDP1 (0.42) TDP1
SCHEMBL11335070 0.85 TDP1 (0.58) TDP1
SCHEMBL11335067 0.85 TDP1 (0.58) TDP1
SCHEMBL27918573 0.85 TSHR (0.36)
SCHEMBL27756089 0.78
SCHEMBL213368 0.76
SCHEMBL27606628 0.76 ALDH1A1 (0.44)
SCHEMBL57530 0.76
SCHEMBL57531 0.76
Ammonia Solution, Strong SCHEMBL27345095 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558617-A4 AMIDINE COMPOUNDS UNIV MONASH (AU) 2007-07-11 EP disclosed
EP-1558617-A1 AMIDINE COMPOUNDS Monash University (AU) 2005-08-03 EP disclosed
EP-1423392-A4 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS POLYCHIP PHARMACEUTICALS PTY (AU) 2004-11-17 EP disclosed
EP-1423392-A1 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS Polychip Pharmaceuticals Pty. Ltd. (AU) 2004-06-02 EP disclosed
WO-2004033458-A1 AMIDINE COMPOUNDS MONASH UNIVERSITY (AU) 2004-04-22 WO disclosed
WO-2003014122-A1 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2003-02-20 WO disclosed