SCHEMBL10465639

SCHEMBL10465639

O=C(O)c1ccc2ncc(C(=O)O)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.70
TDP1 Q9NUW8 3/20 0.52
P4HA1 P13674 3/20 0.50
P4HTM Q9NXG6 2/20 0.50
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HKDC1 Q2TB90 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MIF P14174 1/20 0.48
PSMD14 O00487 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47

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
SCHEMBL13386768 0.89 MGAM (0.62) MGAMTDP1P4HA1P4HTMMIF
SCHEMBL21819406 0.87 MGAM (0.54) MGAMTDP1P4HA1P4HTMKDM4E
SCHEMBL61876 0.87 MGAM (0.64) MGAMTDP1P4HA1P4HTMNPC1
SCHEMBL69368 0.86 MGAM (0.68) MGAMTDP1P4HA1P4HTMKDM4E
SCHEMBL2147076 0.85 MGAM (0.53) MGAMTDP1P4HA1P4HTMKDM4E
Hydrochloric Acid SCHEMBL2749769 0.85 MGAM (0.62) MGAMTDP1P4HA1P4HTMNPC1
SCHEMBL12928124 0.85 MGAM (0.62) MGAMTDP1P4HA1P4HTMKDM4E
SCHEMBL2306751 0.85 MGAM (0.62) MGAMP4HA1P4HTMPSMD14ALDH1A1
SCHEMBL29268643 0.85 MGAM (0.53) MGAMTDP1P4HA1P4HTMKDM4E
SCHEMBL9508 0.85 MGAM (0.62) MGAMP4HA1P4HTMKDM4EPSMD14

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
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed