SCHEMBL30416505

SCHEMBL30416505

Oc1ccccc1C=Nc1nnn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.51
▸ CA2 P00918 7/20 0.51
▸ CA9 Q16790 6/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 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
SCHEMBL28667890 0.98 CA12 (0.50) CA12CA2CA9SIRT2KDM4E
SCHEMBL30460789 0.75 CA12 (0.53) CA12CA2CA9SIRT2KDM4E
SCHEMBL31105766 0.74 CA12 (0.51) CA12CA2CA9SIRT2KDM4E
SCHEMBL30460790 0.74 GUSB (0.65) CA12CA2CA9SIRT2KDM4E
SCHEMBL13381802 0.74 KDM4E (0.58) KDM4EGAAALDH1A1MAPTNPC1
SCHEMBL29946519 0.74 KMT2A (0.57) KDM4EGAATSHRALDH1A1MAPT
SCHEMBL8775950 0.73 CA12 (0.50) CA12CA2CA9SIRT2KDM4E
SCHEMBL8775953 0.73 CA12 (0.50) CA12CA2CA9SIRT2KDM4E
SCHEMBL28972431 0.72 CA12 (0.53) CA12CA2CA9SIRT2KDM4E
SCHEMBL30112897 0.72 CA12 (0.53) CA12CA2CA9SIRT2KDM4E

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-113845699-B Organic metal complex modified ammonium polyphosphate intumescent flame retardant and preparation method thereof 福建师范大学 2023-03-10 — — CN disclosed
Send feedback