SCHEMBL28827037

SCHEMBL28827037

O=C(O)c1ccccc1C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3.[Cu]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MYC P01106 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HNF4A P41235 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ FOLH1 Q04609 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL1998705 0.99 ALDH1A1 (0.35) ALDH1A1GAARAB9ANPC1MYC
SCHEMBL27827079 0.80 AKR1B1 (0.36) KDM4EMAPT
SCHEMBL28218445 0.78 ALDH1A1 (0.34) ALDH1A1L3MBTL1
SCHEMBL28146959 0.77 MAOA (0.31) —
SCHEMBL27742192 0.76 ALDH1A1 (0.40) ALDH1A1GAARAB9ANPC1CYP3A4
SCHEMBL28035585 0.75 — —
SCHEMBL28267207 0.75 ALDH1A1 (0.34) ALDH1A1L3MBTL1
SCHEMBL28088146 0.75 ALDH1A1 (0.34) ALDH1A1L3MBTL1
SCHEMBL3076219 0.75 — —
SCHEMBL28187477 0.74 MAOA (0.31) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114832861-B Preparation method and application of copper carboxyl phenyl porphyrin sensitized caged titanium dioxide 大连理工大学 2023-03-03 — — CN claimed
CN-114949337-A Medical temperature-sensitive hydrogel dressing and preparation method thereof 上海交通大学 2022-08-30 — — CN claimed
CN-114949337-B Medical thermosensitive hydrogel dressing and preparation method thereof 上海交通大学 2023-11-21 — — CN disclosed
CN-114949337-A Medical temperature-sensitive hydrogel dressing and preparation method thereof 上海交通大学 2022-08-30 — — CN disclosed
Send feedback