SCHEMBL8002185

SCHEMBL8002185

Cc1c(OCCCOC(=O)Nc2ccc(F)c(F)c2)ccnc1Cn1cnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 3/20 0.42
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
SCD O00767 3/20 0.38
AGTR2 P50052 1/20 0.38
STAT3 P40763 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7994205 0.89 SMN1; SMN2 (0.43) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7984881 0.87 SMN1; SMN2 (0.40) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7984548 0.86 CDYL2 (0.45) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL8001766 0.85 NPC1 (0.49) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7994647 0.76 SMN1; SMN2 (0.49) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7983909 0.76 SMN1; SMN2 (0.49) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7995844 0.75 SMN1; SMN2 (0.48) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7983724 0.75 SMN1; SMN2 (0.55) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL7983841 0.75 SMN1; SMN2 (0.50) SMN1; SMN2HTTALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL8001463 0.74 SMN1; SMN2 (0.49) SMN1; SMN2HTTALDH1A1MAPTLMNA

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 claimed