SCHEMBL7609475

SCHEMBL7609475

O=C(O)Cc1c(OP(=O)(O)Cc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
EGFR P00533 7/20 0.49
SRC P12931 3/20 0.40
PPARG P37231 1/20 0.39
HPGD P15428 1/20 0.37
FOLH1 Q04609 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7609961 0.77 MEN1 (0.38) KDM4EALDH1A1GAAMAPTEGFR
SCHEMBL7604621 0.76 MEN1 (0.39) KDM4EALDH1A1GAAMAPTEGFR
SCHEMBL7612716 0.75 KDM4E (0.50) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL7611712 0.75 TDP1 (0.40) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL7604578 0.75 MEN1 (0.36) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7608625 0.73 ALDH1A1 (0.50) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2527739 0.73 KDM4E (0.57) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL2087168 0.70 HPGD (0.61) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL10523769 0.69 KDM4E (0.56) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL17102815 0.69 KDM4E (0.59) KDM4EALDH1A1GAAMAPTCASP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514160-A 2002-05-14 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
EP-0936914-A4 1999-08-25 EP claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed