Sugi Predict

Sugi Predict / Compounds / SCHEMBL23199587

SCHEMBL23199587

SCHEMBL23199587

CCCCOC(=O)NC1CC(N)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NAAA Q02083 2/20 0.44
▸ EPHX1 P07099 2/20 0.43
▸ ACHE P22303 7/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL30827617 0.89 GAA (0.50) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL6467476 0.86 GAA (0.48) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL25228958 0.86 GAA (0.48) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL84042 0.85 GAA (0.52) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL87421 0.85 GAA (0.52) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL22801974 0.85 GAA (0.51) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL4719490 0.82 GAA (0.59) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL13387564 0.82 GAA (0.59) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL31334667 0.81 EPHX1 (0.49) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL16146100 0.80 GAA (0.54) GAAMAPK1HTTSMN1; SMN2NAAA

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-3802544-A1 PYRAZOLO-PYRIMIDIN-AMINO-CYCLOALKYL COMPOUNDS AND THEIR THERAPEUTIC USES RAPT Therapeutics, Inc. (US) 2021-04-14 — — EP disclosed