SCHEMBL28581920

SCHEMBL28581920

NP(N)(=O)OCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ PKM P14618 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ANPEP P15144 2/20 0.43
▸ ERAP1 Q9NZ08 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10931322 0.88 L3MBTL1 (0.60) L3MBTL1PKMIDO1NPC1RAB9A
SCHEMBL27924143 0.84 TSHR (0.50) CA2CA1CA9L3MBTL1PKM
SCHEMBL2817045 0.83 CA1 (0.48) CA2CA1CA9L3MBTL1PKM
SCHEMBL17333323 0.81 CA1 (0.47) CA2CA1CA9L3MBTL1PKM
SCHEMBL3366798 0.79 CA1 (0.46) CA2CA1CA9L3MBTL1PKM
SCHEMBL1319783 0.79 TSHR (0.64) CA2CA1CA9TSHRANPEP
SCHEMBL516899 0.79 TSHR (0.53) CA2CA1CA9TSHRANPEP
SCHEMBL9555706 0.79 CA1 (0.46) CA2CA1CA9L3MBTL1PKM
SCHEMBL28209116 0.79 CA1 (0.46) CA2CA1CA9L3MBTL1PKM
SCHEMBL6250234 0.79 CA1 (0.46) CA2CA1CA9L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321361-A Synergistic stable nitrogenous fertilizer and preparation method thereof 中国科学院沈阳应用生态研究所 2021-02-05 — — CN claimed
CN-112209784-A Synergistic stable compound fertilizer and preparation method thereof 中国科学院沈阳应用生态研究所 2021-01-12 — — CN claimed
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