SCHEMBL28213458

SCHEMBL28213458

CSc1cc(O)cc(O)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BACE1 P56817 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL30253078 0.77 MAPT (0.34) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL24156967 0.77 MAPT (0.34) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11527821 0.77 MAPT (0.34) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3817409 0.73 — —
SCHEMBL11730557 0.70 LMNA (0.39) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL502316 0.67 — —
SCHEMBL29577064 0.67 — —
SCHEMBL537673 0.67 MAPK1 (0.42) MAPTALDH1A1POLB
SCHEMBL32665293 0.67 — —
SCHEMBL3565280 0.65 — —

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-105026376-B Process for the preparation of bispyribac-sodium and intermediates thereof 加尔达化学有限公司 2018-05-11 — — CN disclosed
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