SCHEMBL30840801

SCHEMBL30840801

N#Cc1cccc(Oc2cc3cc[nH]c3c(F)c2F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.37
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ERBB3 P21860 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ BRD4 O60885 4/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ PRKCQ Q04759 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ NR3C2 P08235 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
SCHEMBL27287711 0.79 EPAS1 (0.37) SLC22A12PRKCQ
SCHEMBL30687262 0.71 TNF (0.44) BRD4TRPA1IMPDH2IMPDH1AHR
SCHEMBL25871527 0.69 CHEK1 (0.43) SLC22A12IKBKBCHUKIMPDH2IMPDH1
SCHEMBL31357932 0.68 AHR (0.47) SLC22A12IKBKBCHUKIMPDH2IMPDH1
SCHEMBL1420429 0.68 AHR (0.47) SLC22A12IKBKBCHUKIMPDH2IMPDH1
SCHEMBL29361477 0.67 AHR (0.50) BRD4TRPA1IMPDH2IMPDH1PRKCQ
SCHEMBL1420318 0.67 AHR (0.50) BRD4TRPA1IMPDH2IMPDH1PRKCQ
SCHEMBL12100931 0.66 POLB (0.54) ERBB2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29363603 0.66 AHR (0.48) BRD4TRPA1IMPDH2IMPDH1PRKCQ
Hydrochloric Acid SCHEMBL27757229 0.66 AHR (0.48) BRD4TRPA1IMPDH2IMPDH1PRKCQ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 — — EP disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 — — WO disclosed
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