SCHEMBL7644537

SCHEMBL7644537

Cc1cn([C@@H]2O[C@H](COC(=O)OCCc3c(F)cccc3[N+](=O)[O-])C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 5/20 0.41
P2RY14 Q15391 3/20 0.41
NT5E P21589 1/20 0.41
DNPH1 O43598 1/20 0.39
BCHE P06276 1/20 0.37
TK2 O00142 2/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
HBB P68871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RY2 P41231 1/20 0.36

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
SCHEMBL7644426 0.95 DNPH1 (0.41) P2RY6P2RY14NT5EDNPH1BCHE
SCHEMBL7643984 0.91 PYGM (0.41) P2RY6P2RY14NT5EDNPH1BCHE
SCHEMBL7643469 0.91 PYGM (0.41) P2RY6P2RY14DNPH1BCHETK2
SCHEMBL7644912 0.88 DNPH1 (0.41) P2RY6P2RY14NT5EDNPH1TK2
SCHEMBL7644414 0.87 TK2 (0.43) TK2
SCHEMBL8721564 0.87 BCHE (0.47) BCHE
SCHEMBL7644534 0.87 BCHE (0.47) BCHE
SCHEMBL7646618 0.84 PYGM (0.41) P2RY6P2RY14NT5EDNPH1TK2
SCHEMBL7644169 0.84 RNASE1 (0.48) BCHE
SCHEMBL7644590 0.83 DNPH1 (0.42) P2RY6P2RY14NT5EDNPH1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed