SCHEMBL13464360

SCHEMBL13464360

Clc1ccc2nc(-c3ccccc3I)c(NC3CCCCC3)n2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 10/20 0.60
▸ TRPA1 O75762 1/20 0.56
▸ BACE1 P56817 2/20 0.56
▸ GFER P55789 1/20 0.48
▸ GAA P10253 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ TRIM33 Q9UPN9 2/20 0.46
▸ TRIM24 O15164 1/20 0.46

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
SCHEMBL1969328 0.89 GAA (0.62) ALOX5TRPA1BACE1GFERGAA
SCHEMBL13464365 0.87 ALOX5 (0.58) ALOX5GFERGAAALDH1A1PABPC1
SCHEMBL13464364 0.83 ALOX5 (0.44) ALOX5TRPA1BACE1GFERGAA
SCHEMBL19463975 0.80 GFER (0.74) ALOX5TRPA1BACE1GFERGAA
SCHEMBL1968549 0.78 ALOX5 (0.77) ALOX5BACE1GFERGAAALDH1A1
SCHEMBL1966034 0.78 ALOX5 (0.63) ALOX5BACE1GFERGAATP53
SCHEMBL1967108 0.78 ALOX5 (0.58) ALOX5TRPA1BACE1GFERGAA
SCHEMBL13464373 0.78 ALOX5 (0.58) ALOX5TRPA1BACE1GFERGAA
SCHEMBL13464371 0.76 ALOX5 (0.46) ALOX5BACE1GFERGAAALDH1A1
SCHEMBL1967393 0.76 ALOX5 (0.74) ALOX5BACE1GFERGAAALDH1A1

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-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 — — WO disclosed
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