SCHEMBL7994205

SCHEMBL7994205

Cc1c(OCCCOC(=O)Nc2ccccc2)ccnc1Cn1cnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
STAT3 P40763 1/20 0.41
RECQL P46063 1/20 0.40
AGTR2 P50052 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
ABL1 P00519 1/20 0.40
KMT2A Q03164 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL7984881 0.94 SMN1; SMN2 (0.40) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL8001766 0.91 NPC1 (0.49) SMN1; SMN2HTTMAPTLMNAALDH1A1
SCHEMBL7984548 0.90 CDYL2 (0.45) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL8002185 0.89 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL7983724 0.82 SMN1; SMN2 (0.55) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL7983861 0.81 NPSR1 (0.51) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL7983909 0.81 SMN1; SMN2 (0.49) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL7995844 0.80 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL7983841 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTLMNAALDH1A1
SCHEMBL7984271 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HTTMAPTLMNAKDM4E

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