SCHEMBL10639136

SCHEMBL10639136

CCCC(C#N)(CCC)CCC#N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25729410 1.00 TSHR (0.42) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL17970303 0.98 TSHR (0.40) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL25729159 0.91 TSHR (0.46) TSHRMEN1KMT2A
SCHEMBL25729019 0.88 TSHR (0.43) TSHRMEN1KMT2A
SCHEMBL24636720 0.87 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL11158159 0.87 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL25728861 0.86 TSHR (0.50) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL17935756 0.84 ALDH1A1 (0.41) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL21842109 0.83 ALDH1A1 (0.37) TSHRMEN1KMT2AALDH1A1
SCHEMBL25728874 0.83 TSHR (0.35) TSHRALDH1A1

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-4721710-A Derivatives of piperidinedione for protecting the myocardium presenting an anti-arrythmic activity, and pharmaceutical compositions SANOFI 1988-01-26 US disclosed