SCHEMBL7470388

SCHEMBL7470388

CCc1n[nH]cc1C=CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NFKB1 P19838 1/20 0.36
CA4 P22748 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TDO2 P48775 1/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
EIF2AK2 P19525 1/20 0.34

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
SCHEMBL17843957 1.00 MAP3K7 (0.39) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL21001997 0.80 MAP3K7 (0.36) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL20524312 0.77 NFKB1 (0.39) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL20524343 0.77 NFKB1 (0.39) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL7489005 0.77 NFKB1 (0.39) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL11557166 0.74 CA1 (0.39) MAP3K7TAB1KDM4ECA1CA2
SCHEMBL11557165 0.74 CA1 (0.39) MAP3K7TAB1KDM4ECA1CA2
SCHEMBL21002000 0.69 CA1 (0.35) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL13167161 0.69 P4HTM (0.38) MAP3K7TAB1KDM4EALDH1A1GAA
SCHEMBL8913948 0.69 MEN1 (0.51) KDM4EALDH1A1GAAMEN1KMT2A

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-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed