SCHEMBL7998424

SCHEMBL7998424

CCn1nc(C)cc1C(=O)NCCCOc1ccnc(Cn2cnc3ccccc32)c1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 16/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.38
PPARG P37231 1/20 0.37
IRF3 Q14653 1/20 0.37
CYP3A4 P08684 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
SCHEMBL7983874 0.85 STING1 (0.43) STING1L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL7983909 0.76 SMN1; SMN2 (0.49) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7983841 0.74 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8001463 0.74 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL7994647 0.74 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL7983724 0.73 SMN1; SMN2 (0.55) L3MBTL1KDM4EALDH1A1LMNAMAPT
SCHEMBL7995844 0.73 SMN1; SMN2 (0.48) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7994205 0.73 SMN1; SMN2 (0.43) L3MBTL1KDM4EALDH1A1LMNAMAPT
SCHEMBL7983835 0.72 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL7984304 0.72 STING1 (0.49) STING1L3MBTL1ALDH1A1MAPT

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