SCHEMBL4078508

SCHEMBL4078508

NC(=O)OCCCn1c(CCl)nc2cnc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TLR7 Q9NYK1 3/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL27649940 0.93 LMNA (0.39) LMNASMN1; SMN2TP53TLR7MAPT
SCHEMBL1960247 0.88 TLR7 (0.47) LMNATP53TLR7HTTKDM4E
SCHEMBL4491917 0.87 MAPT (0.44) SMN1; SMN2TP53RAB9ATLR7MAPT
SCHEMBL27670102 0.85 SMN1; SMN2 (0.35) LMNASMN1; SMN2TP53RAB9ANPC1
SCHEMBL5448601 0.83 ALDH1A1 (0.44) LMNASMN1; SMN2TP53RAB9ANPC1
SCHEMBL3865570 0.80 LMNA (0.41) LMNASMN1; SMN2TP53RAB9ATLR7
SCHEMBL5810006 0.79 TLR7 (0.40) LMNASMN1; SMN2TP53RAB9ANPC1
SCHEMBL3869375 0.76 LMNA (0.42) LMNATP53TLR7MAPTNPSR1
SCHEMBL1232968 0.76 TLR7 (0.45) TLR7
SCHEMBL2894935 0.76 TLR7 (0.49) LMNASMN1; SMN2TP53TLR7HTT

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-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed