SCHEMBL13985648

SCHEMBL13985648

CC(C)(C)OC(=O)N1CCN(c2c(C#N)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
GPR119 Q8TDV5 3/20 0.45
KCNH2 Q12809 1/20 0.44
MAP4K4 O95819 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PTPN11 Q06124 1/20 0.41
RET P07949 7/20 0.41
MET P08581 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL209811 0.85 KCNH2 (0.53) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL4755253 0.84 LMNA (0.39) LMNAALDH1A1MAPT
SCHEMBL4755250 0.84 LMNA (0.39) LMNAALDH1A1MAPT
SCHEMBL13985469 0.82 MAPT (0.47) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL7660292 0.77 ALDH1A1 (0.56) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL4467502 0.77 ALDH1A1 (0.56) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL456801 0.75 MAPT (0.55) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL17254431 0.75 MAPT (0.53) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL6484230 0.74 MAPT (0.58) LMNAALDH1A1MAPTGPR119KCNH2
SCHEMBL1114019 0.73 LMNA (0.63) LMNAALDH1A1MAPTGPR119KCNH2

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-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed