SCHEMBL13865463

SCHEMBL13865463

NC(=O)CCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.55
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 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
SCHEMBL2095353 0.84 CYP3A4 (0.53) KIF11MAPTKMT2AHTT
SCHEMBL5329346 0.83 KIF11 (0.53) KIF11
SCHEMBL7102456 0.80 MAPT (0.47) KIF11MAPTKMT2AHTT
SCHEMBL4153935 0.80 CHRM3 (0.55) MAPTKMT2AHTT
SCHEMBL1529149 0.79 KIF11 (0.50) KIF11
Hydrochloric Acid SCHEMBL27310710 0.79 MAPT (0.41) KIF11MAPTKMT2AHTT
SCHEMBL29730901 0.79 MAPT (0.46) KIF11MAPTKMT2AHTT
SCHEMBL1492535 0.78 KIF11 (0.48) KIF11MAPTKMT2AHTT
Lithium Ion SCHEMBL28436817 0.78 KIF11 (0.49) KIF11
SCHEMBL17064282 0.77 MAPT (0.44) KIF11MAPTKMT2AHTT

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
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed