SCHEMBL8048459

SCHEMBL8048459

O=C(O)C(OP(=O)(O)CCc1ccncc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
GRM8 O00222 2/20 0.40
GRM4 Q14833 2/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ACP3 P15309 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 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
SCHEMBL5053011 0.90 CYP2D6 (0.53) CYP2D6ANPEPERAP2ERAP1ALDH1A1
SCHEMBL5051263 0.86 LMNA (0.41) SMN1; SMN2ALPLALPIALPGHTT
SCHEMBL5053266 0.86 ANPEP (0.47) SMN1; SMN2HTTANPEPERAP2ERAP1
SCHEMBL5053171 0.83 CYP2D6 (0.48) SMN1; SMN2CYP2D6TSHRACP3SLC6A3
SCHEMBL5054279 0.82 S1PR2 (0.48) CYP2D6TSHRACP3
SCHEMBL7606730 0.81 SLC6A2 (0.41) SMN1; SMN2ALPLALPIALPGHTT
SCHEMBL5060071 0.80 TBXAS1 (0.48) SMN1; SMN2HTTANPEPERAP2ERAP1
SCHEMBL5060506 0.80 CYP1A2 (0.45) CYP2D6ALDH1A1KDM4E
SCHEMBL5053072 0.80 MAPT (0.40) CYP2D6TSHRACP3SLC6A3
SCHEMBL5051216 0.77 CETP (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed