SCHEMBL9700784

SCHEMBL9700784

Nc1cccc2nc(CCC(=O)O)c(CP(=O)(O)O)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM1 P11229 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL9700764 0.73 HDAC6 (0.53) HDAC6L3MBTL1CHRM1KDM4EALDH1A1
Succinic Acid SCHEMBL30269686 0.72 ALDH1A1 (0.53) HDAC6L3MBTL1CHRM1KDM4EALDH1A1
SCHEMBL27693223 0.67 ALDH1A1 (0.42) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9006005 0.64 KDM4E (0.43) HDAC6CHRM1KDM4EALDH1A1
SCHEMBL24276933 0.64 HDAC6 (0.46) HDAC6L3MBTL1CHRM1ALDH1A1PARP1
SCHEMBL9005979 0.63 KDM4E (0.36) HDAC6L3MBTL1KDM4EHSD17B10PGK1
SCHEMBL7650615 0.63 HDAC6 (0.62) HDAC6L3MBTL1CHRM1KDM4EALDH1A1
SCHEMBL18989971 0.63 SHMT2 (0.50) HDAC6L3MBTL1KDM4EALDH1A1
SCHEMBL31355397 0.62 MAPT (0.52) L3MBTL1CHRM1KDM4EALDH1A1TP53
SCHEMBL7450221 0.62 HDAC6 (0.65) HDAC6L3MBTL1CHRM1KDM4EALDH1A1

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
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO claimed