SCHEMBL9756680

SCHEMBL9756680

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)c2OC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GBA1 P04062 6/20 0.46
STS P08842 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
DPP4 P27487 1/20 0.43
PIK3CA P42336 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ACHE P22303 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 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
SCHEMBL9756677 0.91 KMT2A (0.47) MEN1KMT2ASMN1; SMN2GBA1PIK3CA
SCHEMBL9756638 0.90 GBA1 (0.49) MEN1KMT2AGBA1PIK3CAADORA2A
SCHEMBL9756685 0.89 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2GBA1ADORA2A
SCHEMBL9668922 0.81 GPR119 (0.43) GBA1ADORA2AADORA1CKS1BSKP1
SCHEMBL9756679 0.81 GBA1 (0.55) HTTGBA1CKS1BSKP1SKP2
SCHEMBL9756669 0.81 HSD17B10 (0.49) MEN1KMT2AHSD17B10SMN1; SMN2NPSR1
SCHEMBL9756696 0.78 GPR119 (0.45) GBA1ADORA2AADORA1CKS1BSKP1
SCHEMBL15921897 0.76 CKS1B (0.55) MEN1KMT2ASMN1; SMN2PIK3CAADORA2A
SCHEMBL10297496 0.76 GPR119 (0.55) MEN1KMT2ASMN1; SMN2PIK3CAADORA2A
4-Methylbenzoic Acid SCHEMBL9671138 0.76 GBA1 (0.48) MEN1KMT2ASMN1; SMN2GBA1ADORA2A

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