SCHEMBL6580349

SCHEMBL6580349

COC(=O)N1CCC(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.49
JAK3 P52333 3/20 0.49
IRAK4 Q9NWZ3 5/20 0.46
NOS2 P35228 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
IRAK1 P51617 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL13506830 0.85 NOS2 (0.62) NOS2LMNAMEN1KMT2AL3MBTL1
SCHEMBL2245357 0.84 GPR119 (0.51) NOS2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL30594366 0.84 GPR119 (0.51) NOS2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL6580282 0.83 JAK2 (0.52) JAK2JAK3IRAK4NOS2CCNC
SCHEMBL15204675 0.82 SMN1; SMN2 (0.48) JAK2JAK3NOS2LMNAMEN1
SCHEMBL15204677 0.82 SMN1; SMN2 (0.48) JAK2JAK3NOS2LMNAMEN1
SCHEMBL12126350 0.78 ALDH1A1 (0.50) NOS2LMNAMEN1KMT2AALDH1A1
SCHEMBL30085312 0.78 BTK (0.50) JAK2JAK3ALDH1A1POLB
SCHEMBL31170913 0.78 BTK (0.50) JAK2JAK3ALDH1A1POLB
SCHEMBL29124390 0.78 BTK (0.50) JAK2JAK3ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed