SCHEMBL4775271

SCHEMBL4775271

NC[C@H](C(=O)O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
TBXAS1 P24557 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 1/20 0.45
NAPRT Q6XQN6 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4779810 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL3869951 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GRM8GRM4CFTRSLC6A2
Hydrochloric Acid SCHEMBL6773732 0.98 SMN1; SMN2 (0.47) SMN1; SMN2GRM8GRM4CFTRSLC6A2
Hydrochloric Acid SCHEMBL27645555 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL25287082 0.84 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL31038319 0.84 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL235125 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL29852444 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL20213798 0.81 TBXAS1 (0.49) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL7506734 0.81 ALDH1A1 (0.45) SMN1; SMN2KDM4EROCK2ROCK1LMNA

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-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP disclosed