SCHEMBL4028012

SCHEMBL4028012

O=C(O)Oc1cc(-c2cccs2)n(Cc2ccc(C(=O)O)cc2)c(=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FEN1 P39748 9/20 0.39
ERCC5 P28715 6/20 0.39
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4028007 0.85 PTPN1 (0.47) ALDH1A1KDM4EPOLBMAPTALOX15
SCHEMBL4028670 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL1034639 0.66 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHSD17B10TDP1
SCHEMBL4028669 0.65 FEN1 (0.65) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL4025292 0.62 ERCC1 (0.48) ALDH1A1KDM4EPOLBMAPTMAPK1
SCHEMBL420705 0.61 KDM4E (0.55) ALDH1A1KDM4EPOLBMAPTALOX15
SCHEMBL8937581 0.60 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPTALOX15
SCHEMBL6092736 0.59 LMNA (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8937617 0.59 SMN1; SMN2 (0.41) ALDH1A1KDM4EPOLBMAPTALOX15
4-Methylbenzoic Acid SCHEMBL27184809 0.58 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBMAPTALOX15

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-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed