SCHEMBL8324212

SCHEMBL8324212

N#CC/C=C/CCCC#N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 4/20 0.34
EPAS1 Q99814 4/20 0.34
ENPP1 P22413 1/20 0.31

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
SCHEMBL8324215 1.00 TSHR (0.42) TSHRALDH1A1TDP1HIF1AEPAS1
SCHEMBL9794435 0.92 HIF1A (0.40) TSHRALDH1A1TDP1HIF1AEPAS1
SCHEMBL17982757 0.89 TSHR (0.45) TSHRALDH1A1TDP1HIF1AEPAS1
SCHEMBL17982758 0.89 TSHR (0.45) TSHRALDH1A1TDP1HIF1AEPAS1
SCHEMBL11715215 0.83
SCHEMBL11715219 0.83
SCHEMBL16369047 0.80 TSHR (0.53) TSHRALDH1A1
SCHEMBL14604285 0.78 HIF1A (0.47) TSHRALDH1A1TDP1HIF1AEPAS1
SCHEMBL2588504 0.78 HIF1A (0.47) TSHRALDH1A1TDP1HIF1AEPAS1
SCHEMBL2588505 0.78 HIF1A (0.47) TSHRALDH1A1TDP1HIF1AEPAS1

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-5919349-A Electrochemical reduction of organic compounds BASF AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed