SCHEMBL8205389

SCHEMBL8205389

O=C(O)c1[nH]c2ccnn2c(=O)c1CCO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
DHODH Q02127 13/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
FOLH1 Q04609 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8186780 0.84 DHODH (0.33) GAADHODHKDM4EALDH1A1
SCHEMBL8190377 0.81 IGF1R (0.33)
SCHEMBL8177653 0.81 CYP4F2 (0.39) KDM4EALDH1A1
SCHEMBL8177100 0.81 GAA (0.33) GAAKDM4EALPLALPIALPG
SCHEMBL8185579 0.80 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL8193219 0.75 KDM4E (0.32) GAAKDM4EALDH1A1ALPLALPI
SCHEMBL22996403 0.72 BRD4 (0.33) GAAKDM4EALDH1A1
SCHEMBL960542 0.64 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL8205156 0.62 GAA (0.42) GAAKDM4EALDH1A1ALPLALPI
SCHEMBL5955774 0.61 ALDH1A1 (0.74) KDM4EALDH1A1FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021447-A1 PYRROLOPYRAZOLOPYRIMIDINE COMPOUND AND MEDICINE COMPRISING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-26 EP disclosed
WO-1998033799-A1 PYRROLOPYRAZOLOPYRIMIDINE COMPOUND AND MEDICINE COMPRISING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 1998-08-06 WO disclosed