SCHEMBL5270118

SCHEMBL5270118

O=c1c(O)c(CN2CCC3(CC2)OCCO3)ccn1Cc1ccccc1.O=c1c(O)c(CN2CCCCCC2)ccn1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 12/20 0.66
EGLN1 Q9GZT9 12/20 0.66
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 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
SCHEMBL273369 0.96 VEGFA (0.72) VEGFAEGLN1TSHRALDH1A1KDM4E
SCHEMBL273696 0.88 EGLN1 (0.85) VEGFAEGLN1HRH3KDM4EHTT
SCHEMBL271963 0.88 EGLN1 (0.85) VEGFAEGLN1HRH3KDM4EHTT
SCHEMBL277668 0.88 EGLN1 (0.85) VEGFAEGLN1HRH3KDM4EHTT
SCHEMBL273037 0.87 EGLN1 (0.87) VEGFAEGLN1ALDH1A1KDM4EHTT
SCHEMBL272666 0.81 VEGFA (0.81) VEGFAEGLN1ALDH1A1KDM4EGAA
SCHEMBL278202 0.81 VEGFA (1.00) VEGFAEGLN1ALDH1A1KDM4EHTT
SCHEMBL5267745 0.79 VEGFA (0.69) VEGFAEGLN1HRH3TSHRALDH1A1
SCHEMBL272075 0.78 VEGFA (0.70) VEGFAEGLN1HRH3TSHRALDH1A1
SCHEMBL12598832 0.77 VEGFA (0.73) VEGFAEGLN1ALDH1A1KDM4E

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