SCHEMBL7604710

SCHEMBL7604710

CCCC(C(=O)O)c1c(NP(=O)(O)Cc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
IMPDH2 P12268 1/20 0.35
KDM4E B2RXH2 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MMP1 P03956 1/20 0.34
PSIP1 O75475 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7604500 0.91 ALOX5 (0.39) ALOX5IMPDH2KDM4EEGFRSRC
SCHEMBL7612091 0.84 ALOX5 (0.40) ALOX5IMPDH2KDM4EEGFRSRC
SCHEMBL7604578 0.80 MEN1 (0.36) ALOX5IMPDH2KDM4EESR1ESR2
SCHEMBL7609434 0.77 MEN1 (0.37) KDM4EMEN1KMT2AGAAMMP1
SCHEMBL8060089 0.75 KDM4E (0.34) KDM4EEGFRSRCESR1ESR2
SCHEMBL7612716 0.74 KDM4E (0.50) ALOX5KDM4EEGFRSRCESR1
SCHEMBL7606879 0.72 CNR2 (0.36) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL7607457 0.70 CYP1A2 (0.38) KDM4EMMP1CYP1A2CYP3A4CYP2D6
SCHEMBL7604621 0.70 MEN1 (0.39) ALOX5IMPDH2KDM4EEGFRSRC
SCHEMBL7610263 0.70 HTT (0.36) KDM4EMEN1KMT2AMMP1CYP1A2

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 16 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
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP 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-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO 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-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 EP disclosed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed