SCHEMBL7607690

SCHEMBL7607690

O=C(O)Cc1cccc2[nH]c(NP(=O)(O)Cc3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.36
PARP14 Q460N5 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 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
SCHEMBL7604596 0.79 CXCL8 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7611712 0.77 TDP1 (0.40) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7612716 0.75 KDM4E (0.50) TDP1KDM4EALDH1A1PARP14MAPT
SCHEMBL8061558 0.69 PTGS2 (0.47) MEN1KMT2ACFDF11TPSB2
SCHEMBL990558 0.69 KDM4E (0.50) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7610525 0.68 MAPK8 (0.40) ALDH1A1MEN1HPGDKMT2APTGER1
SCHEMBL8057238 0.67 CXCL8 (0.43) ALDH1A1MAPTGAACFDF11
SCHEMBL8061466 0.67 PTGS2 (0.47) ALDH1A1SUCNR1AKR1B10UGT1A9TRPA1
SCHEMBL8046688 0.67 CXCL8 (0.49) KDM4EALDH1A1SUCNR1AKR1B10UGT1A9
SCHEMBL7607748 0.65 AKR1B1 (0.42) ALDH1A1LMNAMEN1HPGDKMT2A

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 10 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-0936914-A4 1999-08-25 EP disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed