SCHEMBL7994670

SCHEMBL7994670

Cc1c(OCCCOc2ccc3nccn3n2)ccnc1Cn1cnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.41
LMNA P02545 8/20 0.41
HTT P42858 7/20 0.41
MAPT P10636 4/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
TNF P01375 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7995844 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7983724 0.81 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7983841 0.81 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7994647 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7983909 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTSTAT3
Hydrochloric Acid SCHEMBL8001463 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7983835 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL2513699 0.73 CYP11B1 (0.49) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7994205 0.73 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTMAPTSTAT3
SCHEMBL7984881 0.71 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTMAPTSTAT3

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