SCHEMBL26478144

SCHEMBL26478144

N=C(N)c1cccc(N2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ PRSS1 P07477 7/20 0.60
▸ F10 P00742 5/20 0.60
▸ F2 P00734 5/20 0.60
▸ PRSS2 P07478 5/20 0.56
▸ PRSS3 P35030 5/20 0.56
▸ TMPRSS6 Q8IU80 2/20 0.56
▸ ST14 Q9Y5Y6 2/20 0.56
▸ GRIN2D O15399 1/20 0.56
▸ GRIN3B O60391 1/20 0.56
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ GRIN2C Q14957 1/20 0.56

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
Hydrochloric Acid SCHEMBL1870396 0.97 F10 (0.59) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL1397363 0.84 GAA (0.74) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL1397690 0.82 GAA (0.72) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL30290422 0.82 GAA (0.72) KDM4EMEN1ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL4630423 0.81 GAA (0.70) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL15075678 0.78 ALDH1A1 (0.61) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL8106249 0.77 F2 (0.89) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL14754381 0.77 ALDH1A1 (0.59) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL4631839 0.77 ALDH1A1 (0.64) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL29717077 0.76 ALDH1A1 (1.00) KDM4EMEN1ALDH1A1GAAHPGD

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-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 — — WO disclosed
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