SCHEMBL5740462

SCHEMBL5740462

O=C1CNN(C(=O)Cc2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
MCHR1 Q99705 1/20 0.38
IDO1 P14902 2/20 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
SCHEMBL27538189 0.70 SMN1; SMN2 (0.44) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL8908929 0.68 POLB (0.67) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL4861996 0.68 SMN1; SMN2 (0.45) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL4855129 0.68 SMN1; SMN2 (0.46) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL26179616 0.67 POLB (0.71) POLBSMN1; SMN2ME2ME1ME3
Hydrochloric Acid SCHEMBL21681605 0.67 POLB (0.65) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL3170967 0.66 SMN1; SMN2 (0.70) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL19013642 0.65 SMN1; SMN2 (0.49) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL526194 0.64 GAA (0.57) POLBSMN1; SMN2TDP1KMT2AALDH1A1
SCHEMBL6618388 0.64 POLB (0.65) POLBSMN1; SMN2ME2ME1ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427732-B1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO 1,2-A|PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2006-07-12 EP disclosed
EP-1427732-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO 1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-6566357-B1 To inhibit the extracellular release of inflammatory cytokines; therapy THE PROCTER & GAMBLE CO. 2003-05-20 US disclosed
WO-2003024973-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed