SCHEMBL5319508

SCHEMBL5319508

CCOC(=O)C1CCN(c2ncc([N+](=O)[O-])c(Nc3ccccc3F)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.50
CTSB P07858 1/20 0.49
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
GPR119 Q8TDV5 3/20 0.45
PTK2 Q05397 1/20 0.43
KMT2A Q03164 3/20 0.42
VCAM1 P19320 1/20 0.41
PLK1 P53350 1/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
S100A4 P26447 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 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
SCHEMBL7718560 0.83 PTPN11 (0.54) PTPN11CTSBMAPTALDH1A1HTT
SCHEMBL5259313 0.83 GPR119 (0.57) PTPN11CTSBMAPTALDH1A1HTT
SCHEMBL390133 0.81 GPR119 (0.68) MAPTALDH1A1GPR119KMT2AMEN1
SCHEMBL5261119 0.80 KDM4E (0.54) PTPN11CTSBMAPTALDH1A1PTK2
SCHEMBL7719465 0.76 MAPT (0.53) CTSBMAPTALDH1A1HTTTP53
SCHEMBL23536097 0.74 MAPT (0.58) CTSBMAPTALDH1A1HTTTP53
SCHEMBL29931994 0.74 MAPT (0.58) CTSBMAPTALDH1A1HTTTP53
SCHEMBL30751569 0.73 PTPN11 (0.57) PTPN11MAPTALDH1A1TP53KMT2A
SCHEMBL2491808 0.73 MAPT (0.67) PTPN11CTSBMAPTALDH1A1HTT
SCHEMBL30751504 0.73 PTPN11 (0.56) PTPN11MAPTALDH1A1TP53PTK2

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-1599468-B1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARM INC (US) 2007-10-03 EP disclosed