SCHEMBL6935326

SCHEMBL6935326

COc1ccc(CCC(=O)Nc2ccc3ccn(CCC[C@@H](O)n4cnc(C(N)=O)c4)c3c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.79
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL6936482 0.92 ADA (0.78) ADA
SCHEMBL6936406 0.90 ADA (0.78) ADA
SCHEMBL6935319 0.88 ADA (1.00) ADA
SCHEMBL6941827 0.88 ADA (0.80) ADA
SCHEMBL6942531 0.88 ADA (0.73) ADA
SCHEMBL6939251 0.86 ADA (0.76) ADA
SCHEMBL6942223 0.86 ADA (0.80) ADA
SCHEMBL6942806 0.85 ADA (0.78) ADAHDAC3HDAC1HDAC6
SCHEMBL6938462 0.85 ADA (0.79) ADA
SCHEMBL6939037 0.85 ADA (0.80) ADA

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed