SCHEMBL28033480

SCHEMBL28033480

O=PC(O)(Cc1cnc2ccccn12)P(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.72
GGPS1 O95749 1/20 0.72
GPR84 Q9NQS5 1/20 0.43
EPHB3 P54753 1/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
TP53 P04637 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SSTR4 P31391 1/20 0.35
HDAC1 Q13547 1/20 0.35
ERCC5 P28715 1/20 0.35
NAMPT P43490 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
Minodronic Acid SCHEMBL145238 0.84 FDPS (1.00) FDPSGGPS1GPR84EPHB3NPC1
Minodronic Acid SCHEMBL6009958 0.83 FDPS (0.97) FDPSGGPS1GPR84EPHB3NPC1
Minodronic Acid SCHEMBL8661646 0.83 FDPS (0.97) FDPSGGPS1GPR84EPHB3NPC1
SCHEMBL12309035 0.80 FDPS (0.73) FDPSGGPS1GPR84EPHB3NPC1
(2-Hydroxy-3-Imidazo[1,2-A]Pyridin-3-Yl-2-Phosphonopropionic Acid (Enantionmers) SCHEMBL7858749 0.80 FDPS (0.72) FDPSGGPS1GPR84EPHB3NPC1
SCHEMBL17519343 0.80 FDPS (0.72) FDPSGGPS1GPR84EPHB3NPC1
Minodronic Acid SCHEMBL8661643 0.80 FDPS (0.85) FDPSGGPS1GPR84EPHB3NPC1
Minodronic Acid SCHEMBL8659642 0.79 FDPS (0.83) FDPSGGPS1GPR84EPHB3NPC1
Minodronic Acid SCHEMBL8664061 0.79 FDPS (0.83) FDPSGGPS1GPR84EPHB3NPC1
SCHEMBL17519328 0.78 GGPS1 (0.69) FDPSGGPS1GPR84EPHB3NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115282269-A Combination therapy involving anti-claudin 18.2 antibodies for the treatment of cancer 安斯泰来制药株式会社 2022-11-04 CN disclosed
CN-115177733-A Combination therapy involving anti-claudin 18.2 antibodies for the treatment of cancer 安斯泰来制药株式会社 2022-10-14 CN disclosed
CN-105073777-B Combination therapy involving anti-claudin 18.2 antibodies for the treatment of cancer 安斯泰来制药株式会社 2022-07-01 CN disclosed
CN-105189554-B Therapy involving antibodies against claudin 18.2 for the treatment of cancer 安斯泰来制药株式会社 2021-10-08 CN disclosed
CN-105189554-A Therapy involving antibodies against claudin 18.2 for treatment of cancer GANYMED PHARMACEUTICALS AG 2015-12-23 CN disclosed
CN-105073777-A Combination therapy involving anti-claudin 18.2 antibodies for the treatment of cancer GANYMED PHARMACEUTICALS AG 2015-11-18 CN disclosed