SCHEMBL6938261

SCHEMBL6938261

NC(=O)c1cn(C[C@@H](O)CCCn2ccc3ccccc32)cn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ADA P00813 13/20 0.43
AGER Q15109 1/20 0.43
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43

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
SCHEMBL6940404 0.87 ADA (0.47) ADA
SCHEMBL6937612 0.86 ADA (0.49) ADA
SCHEMBL6938445 0.83 ADA (0.51) LMNAADACDK4CCND1
SCHEMBL6939156 0.83 ADA (0.46) LMNAADACDK4CCND1
SCHEMBL6941444 0.82 KMO (0.44) LMNAADA
SCHEMBL6939011 0.82 ADA (0.66) ADA
SCHEMBL6936378 0.80 ADA (0.67) LMNAADA
SCHEMBL6940438 0.79 MAPT (0.46) LMNA
SCHEMBL6940662 0.78 ADA (0.71) ADA
SCHEMBL6941810 0.78 ADA (0.69) 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