SCHEMBL10464809

SCHEMBL10464809

O=C(O)c1cnc2c(C(=O)O)cc(C(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.50
MGAM O43451 1/20 0.49
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
P4HA1 P13674 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
MIF P14174 1/20 0.38
HCAR2 Q8TDS4 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 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
SCHEMBL10466298 0.80 PSMD14 (0.46) PSMD14MGAMALOX15TSHRHIF1A
SCHEMBL10464539 0.80 PSMD14 (0.67) PSMD14MGAMALDH1A1MEN1KMT2A
SCHEMBL31058237 0.78 PSMD14 (0.64) PSMD14MGAMALOX15TSHRHIF1A
SCHEMBL1087851 0.78 PSMD14 (0.64) PSMD14MGAMALOX15TSHRHIF1A
SCHEMBL68215 0.77 ALDH1A1 (0.54) PSMD14MGAMALOX15TSHRALDH1A1
SCHEMBL10467541 0.75 PSMD14 (0.53) PSMD14MGAMALDH1A1HSD17B10CYP1A2
SCHEMBL7685746 0.74 PSMD14 (0.47) PSMD14MGAMALOX15TSHRHIF1A
SCHEMBL7813776 0.74 MGAM (0.44) PSMD14MGAMALOX15TSHRALDH1A1
SCHEMBL1171022 0.74 KDM4E (0.45) PSMD14MGAMALOX15TSHRALDH1A1
SCHEMBL10465589 0.73 MGAM (0.58) PSMD14MGAMALOX15TSHRHIF1A

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