SCHEMBL11536898

SCHEMBL11536898

CC(=O)NC(CCCNC(=N)N)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PAOX Q6QHF9 2/20 0.33
▸ NPY4R P50391 8/20 0.32
▸ NPY1R P25929 5/20 0.32
▸ NPY2R P49146 3/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ ALB P02768 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 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
SCHEMBL24158411 0.86 ALOX15 (0.35) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL11535671 0.83 ALOX15 (0.33) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL26079406 0.79 ALOX15 (0.37) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL24158519 0.79 ALOX15 (0.37) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL14615959 0.78 SIRT6 (0.44) SIRT6SIRT1SMN1; SMN2NPY4RNPY1R
SCHEMBL24900018 0.78 SIRT5 (0.49) SIRT6SIRT1NPY4RNPY1RNPY2R
SCHEMBL1934309 0.78 SIRT5 (0.49) SIRT6SIRT1NPY4RNPY1RNPY2R
SCHEMBL11535880 0.76 SIRT6 (0.39) SIRT6SIRT1PAOXCHRM2CHRM4
SCHEMBL24525821 0.76 SIRT6 (0.38) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL468901 0.76 FOLH1 (0.49) ALOX15SIRT6SIRT1SMN1; SMN2KDM4E

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
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 — — US disclosed
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