SCHEMBL5267745

SCHEMBL5267745

O=c1c(O)c(CN2CCC(N3CCCCC3)CC2)ccn1Cc1ccccc1.O=c1c(O)c(CN2CCCCCCC2)ccn1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 12/20 0.69
EGLN1 Q9GZT9 12/20 0.69
RECQL P46063 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HRH3 Q9Y5N1 1/20 0.45
MBTD1 Q05BQ5 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL272075 0.99 VEGFA (0.70) VEGFAEGLN1RECQLL3MBTL1ALDH1A1
SCHEMBL271963 0.90 EGLN1 (0.85) VEGFAEGLN1HRH3SMN1; SMN2
SCHEMBL277668 0.90 EGLN1 (0.85) VEGFAEGLN1HRH3SMN1; SMN2
SCHEMBL273696 0.90 EGLN1 (0.85) VEGFAEGLN1HRH3SMN1; SMN2
SCHEMBL273037 0.89 EGLN1 (0.87) VEGFAEGLN1ALDH1A1SMN1; SMN2
SCHEMBL12598832 0.85 VEGFA (0.73) VEGFAEGLN1ALDH1A1
SCHEMBL17340662 0.84 VEGFA (0.49) VEGFAEGLN1RECQLL3MBTL1ALDH1A1
SCHEMBL278202 0.82 VEGFA (1.00) VEGFAEGLN1ALDH1A1SMN1; SMN2
SCHEMBL278211 0.82 VEGFA (0.75) VEGFAEGLN1ALDH1A1
SCHEMBL277620 0.80 EGLN1 (0.71) VEGFAEGLN1ALDH1A1SMN1; SMN2

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
EP-1558579-B1 N-ALKYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES AS ANTIMICROBIALS PROCTER & GAMBLE (US) 2007-09-12 EP claimed