SCHEMBL29431655

SCHEMBL29431655

CC(C)S(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ MET P08581 2/20 0.31
▸ ROS1 P08922 2/20 0.31
▸ ALK Q9UM73 2/20 0.31
▸ S1PR1 P21453 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
SCHEMBL15929737 1.00 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL17342181 0.92 POLB (0.41) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL29431582 0.89 POLB (0.41) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL15929742 0.89 POLB (0.41) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL14684615 0.87 POLB (0.45) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL29431643 0.87 POLB (0.45) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL29431660 0.87 POLB (0.45) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL14677420 0.87 POLB (0.45) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL15933503 0.84 POLB (0.43) POLBEGLN1
SCHEMBL29431597 0.84 POLB (0.43) POLBEGLN1

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-112021322-B Compositions and methods for controlling pests 住友化学株式会社 2022-04-01 — — CN disclosed
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