SCHEMBL28696743

SCHEMBL28696743

CCCCOCCOSCCSC#N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ ZDHHC20 Q5W0Z9 1/20 0.32
▸ CES2 O00748 1/20 0.31

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
SCHEMBL17100531 0.83 TSHR (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL434543 0.83 TSHR (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL28829708 0.82 TSHR (0.40) MEN1THRBHTTKMT2AMAPT
SCHEMBL30490810 0.81 TSHR (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL28681176 0.75 — —
SCHEMBL11108551 0.70 ALDH3A1 (0.42) TSHRALDH3A1
Water SCHEMBL200504 0.69 TSHR (0.63) MEN1THRBHTTKMT2AMAPT
Water SCHEMBL10352169 0.69 TSHR (0.63) MEN1THRBHTTKMT2AMAPT
Water SCHEMBL36566 0.69 TSHR (0.63) MEN1THRBHTTKMT2AMAPT
SCHEMBL3674142 0.68 — —

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-106132202-B Plant disease control composition and method for controlling plant disease using the same 三井化学AGRO株式会社 2021-12-31 — — CN disclosed
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