SCHEMBL28864180

SCHEMBL28864180

O=NOC(=O)c1ccnc(OCC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.48
▸ MAPT P10636 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ JMJD6 Q6NYC1 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GSK3B P49841 3/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GABRA5 P31644 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL30281370 0.82 EPHX2 (0.52) EPHX2MAPTL3MBTL1JMJD6POLB
Nitrous Acid SCHEMBL28864182 0.82 L3MBTL1 (0.55) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL796410 0.81 L3MBTL1 (0.60) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL2713663 0.80 EPHX2 (0.52) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL30403546 0.80 EPHX2 (0.52) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL31191107 0.77 EPHX2 (0.53) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL27913659 0.77 EPHX2 (0.50) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL13875980 0.77 EPHX2 (0.50) EPHX2MAPTL3MBTL1JMJD6POLB
SCHEMBL28525630 0.76 EPHX2 (0.45) EPHX2L3MBTL1JMJD6GSK3BGSK3A
SCHEMBL13890805 0.76 EPHX2 (0.52) EPHX2MAPTL3MBTL1JMJD6POLB

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-114901646-A Benzotriazine double oxide and pharmaceutical composition thereof 杭州瑞臻医药有限公司 2022-08-12 — — CN disclosed
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