SCHEMBL10246448

SCHEMBL10246448

COc1nc(C)nc(C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23666302 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL12931233 0.80 HRH4 (0.30)
SCHEMBL8844371 0.77 GAA (0.47) GAAALDH1A1
SCHEMBL2600738 0.77
SCHEMBL1131131 0.77 GAA (0.47) GAAALDH1A1SMN1; SMN2
SCHEMBL9186220 0.76 HRH4 (0.41) GAAALDH1A1SMN1; SMN2
SCHEMBL9759431 0.69 GAA (0.41) GAAALDH1A1
SCHEMBL11802553 0.67 HRH4 (0.34)
SCHEMBL10073347 0.67 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL18785216 0.67 GAA (0.40) GAAALDH1A1

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-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 US disclosed