SCHEMBL7604652

SCHEMBL7604652

CCC(NP(=O)(O)Cc1ccccc1)(C(=O)O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.43
KCNA5 P22460 1/20 0.42
GPR132 Q9UNW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
BTN3A1 O00481 1/20 0.39
PDE3A Q14432 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7610257 0.91 FDPS (0.42) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7609429 0.84 FDPS (0.46) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7608427 0.78 PTPN1 (0.45) HTTLMNAKMT2AMEN1NPC1
SCHEMBL7606131 0.78 HPGD (0.33) HIF1ALMNAALDH1A1MAPTRAB9A
SCHEMBL5060370 0.77 KCNA5 (0.40) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7610481 0.75 FDPS (0.44) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7614098 0.74 FDPS (0.43) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7612297 0.73 FDPS (0.47) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7609446 0.73 ACP3 (0.42) LMNAALDH1A1MAPTKDM4E
SCHEMBL6037773 0.73 FDPS (0.42) FDPSKCNA5GPR132CYP1A2CYP3A4

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
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP 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-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed