SCHEMBL7997799

SCHEMBL7997799

Cc1c(Cn2ccnc2[N+](=O)[O-])cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL7995873 0.88 LMNA (0.45) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7983888 0.86 LMNA (0.43) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7997717 0.85 NPSR1 (0.47) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7983744 0.85 LMNA (0.43) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7994286 0.85 LMNA (0.41) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7996728 0.84 LMNA (0.42) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7983644 0.84 LMNA (0.42) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7997919 0.84 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7996398 0.84 CYP3A4 (0.40) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7994258 0.82 CA12 (0.44) LMNAALDH1A1TSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed