Sugi Predict

Sugi Predict / Compounds / SCHEMBL9756679

SCHEMBL9756679

SCHEMBL9756679

Cc1ccccc1C(=O)Oc1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 14/20 0.55
▸ PTPN11 Q06124 1/20 0.45
▸ CKS1B P61024 2/20 0.45
▸ SKP1 P63208 2/20 0.45
▸ SKP2 Q13309 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL9756638 0.87 GBA1 (0.49) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL9756677 0.84 KMT2A (0.47) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL9756680 0.81 MEN1 (0.55) GBA1CKS1BSKP1SKP2HTT
SCHEMBL9668922 0.81 GPR119 (0.43) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL9756685 0.80 SMN1; SMN2 (0.48) GBA1TLR9TLR7
SCHEMBL9756696 0.77 GPR119 (0.45) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL9669962 0.73 KMT5A (0.41) GBA1PTPN11CKS1BSKP1SKP2
4-Methylbenzoic Acid SCHEMBL9671138 0.73 GBA1 (0.48) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL15921897 0.72 CKS1B (0.55) PTPN11CKS1BSKP1SKP2ACHE
SCHEMBL17276765 0.72 CKS1B (0.55) CKS1BSKP1SKP2ACHE

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
WO-1991011453-A2 5-OXYGENATED-2,4,6-TRIAMINOPYRIMIDINES THE UPJOHN COMPANY (US) 1991-08-08 — — WO claimed