SCHEMBL9681350

SCHEMBL9681350

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL3374702 0.77 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL25184627 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TDP1NLRP3
SCHEMBL5318797 0.76
SCHEMBL11398535 0.72 MEN1 (0.32) MEN1KMT2A
SCHEMBL3372731 0.72 TDP1 (0.33) ALDH1A1TDP1
SCHEMBL1341470 0.71
SCHEMBL6544163 0.71
SCHEMBL15309765 0.70 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TDP1
SCHEMBL17715736 0.70 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL8950674 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed