SCHEMBL24967272

SCHEMBL24967272

O=C(I)CCc1ccc(COC(=O)I)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.46
▸ FFAR4 Q5NUL3 3/20 0.45
▸ F2RL1 P55085 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12659858 0.79 ESR1 (0.56) TDP1MEN1KMT2ANFKB1NFKB2
SCHEMBL24966596 0.76 ALDH1A1 (0.64) TDP1MEN1KMT2AL3MBTL1
SCHEMBL107624 0.75 ALDH1A1 (0.63) TDP1KMT2ALMNAL3MBTL1
SCHEMBL12174587 0.73 KEAP1 (0.67) FFAR1FFAR4TDP1
SCHEMBL19035541 0.72 APP (0.49) MEN1KMT2AL3MBTL1
SCHEMBL19495808 0.72 KMT2A (0.39) TDP1MEN1KMT2AL3MBTL1
SCHEMBL17128295 0.70 IDO1 (0.58) —
SCHEMBL24966607 0.69 ALDH1A1 (0.60) FFAR1FFAR4F2RL1TDP1MEN1
SCHEMBL23157115 0.68 TP53 (0.42) MEN1KMT2A
SCHEMBL20420548 0.68 RXFP1 (0.42) TDP1MEN1KMT2ALMNAL3MBTL1

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-2023001223-A1 COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL DISEASES SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 — — WO disclosed
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