SCHEMBL7983841

SCHEMBL7983841

Cc1c(OCCCCl)ccnc1Cn1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
HTT P42858 7/20 0.50
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 7/20 0.50
LMNA P02545 7/20 0.50
MAPT P10636 3/20 0.50
STAT3 P40763 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TNF P01375 2/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.44

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
Hydrochloric Acid SCHEMBL8001463 0.99 SMN1; SMN2 (0.49) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7994647 0.89 SMN1; SMN2 (0.49) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7983909 0.89 SMN1; SMN2 (0.49) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7995844 0.88 SMN1; SMN2 (0.48) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7983724 0.88 SMN1; SMN2 (0.55) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7983835 0.88 SMN1; SMN2 (0.47) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL2513699 0.82 CYP11B1 (0.49) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7994670 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7984266 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP11B1CYP11B2LMNA
SCHEMBL7994205 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNAMAPTSTAT3

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