SCHEMBL7604500

SCHEMBL7604500

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
IMPDH2 P12268 1/20 0.36
KDM4E B2RXH2 3/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL7604710 0.91 ALOX5 (0.38) ALOX5IMPDH2KDM4EEGFRSRC
SCHEMBL7612091 0.86 ALOX5 (0.40) ALOX5IMPDH2KDM4EEGFRSRC
SCHEMBL7604621 0.79 MEN1 (0.39) ALOX5IMPDH2KDM4EEGFRSRC
SCHEMBL7609447 0.76 ACP3 (0.36) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL7612716 0.75 KDM4E (0.50) ALOX5KDM4EEGFRSRCMEN1
SCHEMBL7610576 0.74 MEN1 (0.37) ALOX5KDM4EEGFRSRCMEN1
SCHEMBL28250510 0.73 MEN1 (0.43) KDM4EMEN1KMT2AMAPTGAA
SCHEMBL9698674 0.72 MEN1 (0.60) KDM4EMEN1KMT2AMAPTGAA
SCHEMBL7604578 0.70 MEN1 (0.36) ALOX5IMPDH2KDM4EMEN1KMT2A
SCHEMBL7606135 0.69 ANPEP (0.35) KDM4EPOLBALDH1A1

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 13 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-A4 1999-08-25 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 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-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-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-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