SCHEMBL30957364

SCHEMBL30957364

COc1ccc(O)cc1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.46
▸ IDH1 O75874 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.41
▸ CTSA P10619 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 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
SCHEMBL30957326 0.82 NPC1 (0.56) CYP19A1ALDH1A1NPC1TSHRRAB9A
SCHEMBL30957336 0.81 MAOB (0.42) MAOBSIRT5CTSAESR1ESR2
SCHEMBL14951063 0.80 ACHE (0.50) CYP19A1CLK4ALDH1A1CYP1A2CYP3A4
SCHEMBL21981564 0.79 CYP19A1 (0.41) CYP19A1CLK4ALDH1A1CYP1A2CYP3A4
SCHEMBL29685386 0.79 SYK (0.50) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11133670 0.78 CBFB (0.46) CTSANPC1RAB9APOLBFYN
SCHEMBL16790012 0.75 CYP1A2 (0.62) CYP19A1CLK4ALDH1A1CYP1A2CYP3A4
SCHEMBL3194219 0.74 BACE1 (0.54) MAOBCTSAESR1ESR2
SCHEMBL6068193 0.72 ALOX5 (0.50) IDH1ESR1ESR2ALDH1A1NPC1
SCHEMBL3917166 0.71 NPC1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598933-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF Allorion Therapeutics Inc (US) 2025-08-13 — — EP disclosed
CN-119968377-A Phosphoramidate compounds and uses thereof 安锐生物医药公司 2025-05-09 — — CN disclosed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 — — WO disclosed
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