SCHEMBL28284666

SCHEMBL28284666

OCc1cccc2nn(-c3ccccc3O)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
KCNMA1 Q12791 2/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28139129 0.84 POLB (0.62) POLBRAB9ANPC1LMNAMAPT
SCHEMBL28236651 0.83 POLB (0.49) POLBRAB9ANPC1LMNAMAPT
SCHEMBL9723990 0.78 POLB (0.56) POLBRAB9ANPC1LMNAMAPT
SCHEMBL27324256 0.78 POLB (0.56) POLBRAB9ANPC1LMNAMAPT
SCHEMBL9269046 0.78 POLB (0.56) POLBRAB9ANPC1LMNAMAPT
SCHEMBL59309 0.78 RAB9A (0.61) POLBRAB9ANPC1LMNAMAPT
SCHEMBL29363181 0.78 RAB9A (0.61) POLBRAB9ANPC1LMNAMAPT
SCHEMBL2223774 0.78 NPC1 (0.43) POLBRAB9ANPC1LMNAMAPT
Alcohol SCHEMBL6573170 0.77 NPC1 (0.57) POLBRAB9ANPC1LMNAMAPT
SCHEMBL27738652 0.77 POLB (0.43) POLBRAB9ANPC1LMNAKDM4E

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-104620137-B With the less viscous high refractive index ophthalmic device materials of drop 诺华股份有限公司 2019-04-09 CN disclosed