SCHEMBL7605064

SCHEMBL7605064

O=C(O)Cc1cccnc1OP(=O)(O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
MAPK8 P45983 2/20 0.39
AKR1B1 P15121 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
CFD P00746 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL8046728 0.79 CXCL8 (0.46) MAPTAKR1B1L3MBTL1ALDH1A1CFD
SCHEMBL8058590 0.76 NAPRT (0.51) NAPRTALDH1A1
SCHEMBL7605189 0.76 L3MBTL1 (0.40) MAPK8L3MBTL1ALDH1A1CNR2CNR1
SCHEMBL5780757 0.75 SLC13A5 (0.58) KDM4ECYP1A2MAPTAKR1B1NAPRT
SCHEMBL7614101 0.74 L3MBTL1 (0.41) MAPK8L3MBTL1ALDH1A1
SCHEMBL7606695 0.74 KDM4E (0.49) KDM4ECYP1A2MAPTAKR1B1NAPRT
SCHEMBL7606732 0.74 GABRP (0.46) AKR1B1NAPRT
SCHEMBL8061525 0.73 CXCL8 (0.45) KDM4ECYP1A2MAPTL3MBTL1ALDH1A1
SCHEMBL7606743 0.72 L3MBTL1 (0.40) MAPK8L3MBTL1
SCHEMBL4705125 0.72 KDM4E (0.57) KDM4ECYP1A2MAPTMAPK8AKR1B1

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