SCHEMBL30130698

SCHEMBL30130698

CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn(C)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL30130676 0.82 ENPP1 (0.30) —
SCHEMBL30130668 0.82 — —
SCHEMBL30130657 0.80 PTGS2 (0.35) ALDH1A1
SCHEMBL30130689 0.78 POLB (0.31) POLB
SCHEMBL19993342 0.78 KDM4E (0.36) POLB
SCHEMBL19993248 0.78 JAK2 (0.31) —
SCHEMBL19993432 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30130672 0.77 KDM4E (0.35) POLBALDH1A1
SCHEMBL20393615 0.76 POLB (0.33) DHODHPOLBALDH1A1
SCHEMBL22977612 0.75 L3MBTL1 (0.32) —

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
WO-2022250069-A1 SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2022-12-01 — — WO disclosed
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