SCHEMBL31309982

SCHEMBL31309982

CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 1.00
KDM4E B2RXH2 1/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
ALOX15 P16050 1/20 1.00
KMT2A Q03164 1/20 1.00
ENTPD3 O75355 1/20 1.00
ENPP1 P22413 1/20 1.00
ENTPD1 P49961 1/20 1.00
RGS12 O14924 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
GNAI1 P63096 1/20 0.72
GK P32189 1/20 0.64
CD79B P40259 1/20 0.64
P2RY1 P47900 6/20 0.63
P2RX3 P56373 3/20 0.63
P2RY2 P41231 2/20 0.63
P2RX1 P51575 2/20 0.63

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
SCHEMBL13105971 1.00 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL21122194 1.00 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL26219659 1.00 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL12732611 1.00 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL13096782 1.00 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL12648394 0.85 KDM4E (0.73) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL31191554 0.84 RGS12 (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL29502825 0.84 RGS12 (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL29430335 0.83 RGS12 (0.90) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL21362874 0.82 NT5E (0.69) NT5EKDM4EMEN1CYP1A2CYP2D6

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
CN-119745799-A Ultrasonic activated liposome for regulating ATP-ADO axis to release immunosuppression and application thereof 浙江大学 2025-04-04 CN claimed
CN-119745799-A Ultrasonic activated liposome for regulating ATP-ADO axis to release immunosuppression and application thereof 浙江大学 2025-04-04 CN disclosed
CN-118924718-A Application of pepper extract in preparing soluble epoxide hydrolase inhibitor medicine or health food 人工智能与数字经济广东省实验室(广州) 2024-11-12 CN disclosed