SCHEMBL30764809

SCHEMBL30764809

Cc1ccc(Oc2ccc(Nc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.51
SCN5A Q14524 3/20 0.51
KCNH2 Q12809 2/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NCF1 P14598 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PDE10A Q9Y233 1/20 0.46
KDM1A O60341 1/20 0.45
ACP1 P24666 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL21617084 1.00 SCN9A (0.51) SCN9ASCN5AKCNH2RAB9ANPC1
SCHEMBL12431347 0.91 NCF1 (0.58) RAB9ANPC1KDM4ENCF1MEN1
SCHEMBL1702296 0.89 SCN9A (0.52) SCN9ASCN5ARAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL8812579 0.88 SCN9A (0.51) SCN9ASCN5ARAB9ANPC1KDM4E
SCHEMBL30764813 0.85 NPC1 (0.55) SCN9ASCN5AKCNH2RAB9ANPC1
SCHEMBL21617043 0.85 SCN9A (0.59) SCN9ASCN5AKCNH2RAB9ANPC1
SCHEMBL21617086 0.85 NPC1 (0.55) SCN9ASCN5AKCNH2RAB9ANPC1
SCHEMBL30764799 0.85 SCN9A (0.59) SCN9ASCN5AKCNH2RAB9ANPC1
SCHEMBL31098987 0.83 RAB9A (0.61) RAB9ANPC1KDM4ENCF1MEN1
SCHEMBL1702586 0.83 RAB9A (0.61) RAB9ANPC1KDM4ENCF1MEN1

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
CN-112566899-B phenyl-N-quinoline derivatives for the treatment of RNA viral infections ABIVAX公司 2024-01-30 CN disclosed