SCHEMBL6009518

SCHEMBL6009518

Cc1nn(CCOCC(F)F)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL330524 0.85 SMN1; SMN2 (0.40) SMN1; SMN2POLBHTTALDH1A1
SCHEMBL4039997 0.84 POLB (0.44) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL10917161 0.79 SMN1; SMN2 (0.55) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL28262270 0.77 SMN1; SMN2 (0.47) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL10733902 0.76 MAPT (0.56) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL331457 0.75 MEN1 (0.36) SMN1; SMN2POLBHTTALDH1A1
SCHEMBL1527735 0.75 SMN1; SMN2 (0.51) SMN1; SMN2POLBMAPTALDH1A1PKM
SCHEMBL10918765 0.74 SMN1; SMN2 (0.43) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL331072 0.73 CYP1A2 (0.32) SMN1; SMN2
SCHEMBL14395362 0.73 SMN1; SMN2 (0.43) SMN1; SMN2POLBHTTMAPTALDH1A1

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-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO disclosed