SCHEMBL24776170

SCHEMBL24776170

O=C(OCC(F)(F)S(=O)(=O)O)c1cccc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ XBP1 P17861 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KAT6A Q92794 1/20 0.37
▸ TP53BP1 Q12888 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JMJD6 Q6NYC1 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL24776178 0.85 SERPINE1 (0.37) MAPK1HIF1AJMJD6
SCHEMBL18785924 0.84 ALDH1A1 (0.47) MAPK1HIF1ASMN1; SMN2NPC1XBP1
SCHEMBL12292326 0.84 ADRB2 (0.48) MAPK1HIF1ASMN1; SMN2NPC1XBP1
SCHEMBL18785921 0.83 MAPK1 (0.49) MAPK1HIF1ASMN1; SMN2NPC1XBP1
SCHEMBL2429290 0.83 ADRB2 (0.47) MAPK1HIF1ASMN1; SMN2NPC1XBP1
SCHEMBL18785641 0.82 MAPK1 (0.41) MAPK1HIF1AHPGD
SCHEMBL7600616 0.82 MAPK1 (0.61) MAPK1HIF1ANPC1RAB9ATDP1
SCHEMBL25113105 0.82 TP53BP1 (0.33) MAPK1TDP1KAT6ATP53BP1HDAC1
SCHEMBL27277849 0.80 RAB9A (0.40) MAPK1SMN1; SMN2NPC1XBP1RAB9A
SCHEMBL27277898 0.80 CYBB (0.36) MAPK1HIF1ASMN1; SMN2NPC1XBP1

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-2022265034-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR PRODUCING COMPOUNDS, INTERMEDIATE, AND COMPOUNDS 東京応化工業株式会社 2022-12-22 — — WO disclosed
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