SCHEMBL4750163

SCHEMBL4750163

O=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
RECQL P46063 1/20 0.68
ALDH1A1 P00352 4/20 0.65
HTT P42858 2/20 0.65
KDM4E B2RXH2 2/20 0.64
THRB P10828 1/20 0.64
RAB9A P51151 2/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.62
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
NPC1 O15118 2/20 0.61
TP53 P04637 1/20 0.61

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
SCHEMBL22407654 0.99 LMNA (0.97) LMNACYP1A2CYP2D6CYP2C19RECQL
SCHEMBL15092656 0.99 LMNA (0.97) LMNACYP1A2CYP2D6CYP2C19RECQL
SCHEMBL18040093 0.87 LMNA (0.78) LMNAALDH1A1HTTKDM4EMEN1
SCHEMBL6323061 0.87 LMNA (0.78) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL4746764 0.86 LMNA (0.75) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4749971 0.85 LMNA (0.73) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL3260049 0.83 CYP2D6 (0.95) LMNACYP1A2CYP2D6CYP2C19RECQL
SCHEMBL4749180 0.83 LMNA (0.71) LMNACYP2C19ALDH1A1MEN1KMT2A
SCHEMBL3223889 0.83 LMNA (0.70) LMNACYP1A2CYP2D6CYP2C19RECQL
SCHEMBL3207575 0.82 CYP2D6 (0.97) LMNACYP1A2CYP2D6CYP2C19RECQL

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed