SCHEMBL8898022

SCHEMBL8898022

CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 4/20 0.55
SIRT6 Q8N6T7 1/20 0.53
LMNA P02545 2/20 0.51
KCNJ1 P48048 2/20 0.50
KCNH2 Q12809 2/20 0.50
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL1425482 0.86 HPGD (0.58) L3MBTL1ALDH1A1LMNAKCNJ1KCNH2
SCHEMBL23728205 0.86 HPGD (0.54) ALDH1A1LMNAKCNJ1KCNH2HPGD
SCHEMBL8897735 0.83 SMN1; SMN2 (0.57) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL8896530 0.82 ALDH1A1 (0.58) ALDH1A1LMNAKCNJ1SMN1; SMN2HTT
SCHEMBL5726074 0.78 ATM (0.63) L3MBTL1ALDH1A1SIRT6LMNASMN1; SMN2
SCHEMBL2929978 0.78 L3MBTL1 (0.71) L3MBTL1ALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL4725945 0.78 L3MBTL1 (0.71) L3MBTL1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10077130 0.78 L3MBTL1 (0.71) L3MBTL1ALDH1A1HPGDCYP2C19GAA
SCHEMBL5650248 0.76 HTT (0.46) ALDH1A1LMNAKCNJ1KCNH2HTT
SCHEMBL4185130 0.76 HTT (0.46) ALDH1A1LMNAKCNJ1KCNH2HTT

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed