SCHEMBL7210868

SCHEMBL7210868

[CH2]C#Cc1ccc(CN2C=Cc3ccccc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL1127776 0.81 HDAC3 (0.46) HDAC3
Hydrochloric Acid SCHEMBL8870700 0.79 HDAC3 (0.45) HDAC3
Bromide SCHEMBL3601831 0.79 HDAC3 (0.45) HDAC3
Hydrochloric Acid SCHEMBL11430287 0.71 HTR2A (0.42) HDAC3HRH3
SCHEMBL15610683 0.70 HDAC3 (0.42) HDAC3
Hydrochloric Acid SCHEMBL2111158 0.70 HDAC3 (0.47) HDAC3
SCHEMBL29767826 0.68 HDAC3 (0.52) HDAC3
SCHEMBL9474777 0.68 HDAC3 (0.46) HDAC3
SCHEMBL25435570 0.68 HDAC3 (0.51) HDAC3
SCHEMBL10489558 0.68 HDAC3 (0.48) HDAC3

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
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 EP disclosed