SCHEMBL29600034

SCHEMBL29600034

O=C(C=Cc1cccnc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 1.00
MAPT P10636 3/20 1.00
KMT2A Q03164 2/20 1.00
PFKFB3 Q16875 1/20 0.77
CYP1B1 Q16678 9/20 0.74
CYP1A1 P04798 8/20 0.74
CYP1A2 P05177 8/20 0.74
USP2 O75604 1/20 0.72
NPC1 O15118 2/20 0.70
CYP3A4 P08684 6/20 0.66
CYP2D6 P10635 5/20 0.66
NTSR1 P30989 1/20 0.66
F3 P13726 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH2 P05091 1/20 0.66
HSPD1 P10809 1/20 0.66
CYP19A1 P11511 1/20 0.66
MAOA P21397 1/20 0.66
MAOB P27338 1/20 0.66
HSPE1 P61604 1/20 0.66

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
SCHEMBL5646960 1.00 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL1604140 1.00 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL13479662 0.94 RAB9A (0.88) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL196640 0.87 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL29458617 0.87 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL979409 0.87 CYP1B1 (0.83) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL7368933 0.87 CYP1B1 (0.83) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL196639 0.87 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL1321942 0.86 RAB9A (0.76) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL6700090 0.86 RAB9A (0.76) RAB9AMAPTKMT2APFKFB3CYP1B1

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-120041203-A Preparation method of dye sensitized rare earth up-conversion nano probe, homocysteine detection and application thereof 苏州科技大学 2025-05-27 CN claimed
CN-120041203-A Preparation method of dye sensitized rare earth up-conversion nano probe, homocysteine detection and application thereof 苏州科技大学 2025-05-27 CN disclosed
CN-109293616-B Coumarin-containing chalcone derivatives, and preparation method and application thereof 贵州大学 2022-06-21 CN disclosed
CN-109251186-B Chalcone derivative containing benzothiazole, and preparation method and application thereof 贵州大学 2022-04-19 CN disclosed