SCHEMBL15566566

SCHEMBL15566566

Cn1nc(C(N)=O)c([N+](=O)[O-])c1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 2/20 0.36
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL15567088 0.87 MAPT (0.38) MAPTMEN1KMT2AALDH1A1GRM5
SCHEMBL15566545 0.78 GRM5 (0.41) MEN1KMT2AALDH1A1GRM5CCNA2
SCHEMBL4001733 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6381151 0.75 HPGD (0.38) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL16833262 0.74 MAPT (0.53) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6381472 0.73 HPGD (0.34) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6200618 0.71 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6690449 0.71 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6366582 0.69 HCAR2 (0.39) SMN1; SMN2MAPTMEN1KMT2ACDK2
SCHEMBL6994179 0.69 MEN1 (0.49) SMN1; SMN2MAPTMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014024125-A1 PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE DERIVATIVES AS PDE9 INHIBITORS CELON PHARMA S.A. (PL) 2014-02-13 WO disclosed