SCHEMBL13645320

SCHEMBL13645320

CC(C)(C)OC(=O)N1CCN(CNc2c([N+](=O)[O-])cnc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 2/20 0.41
GBA1 P04062 2/20 0.40
CTSB P07858 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
NSD2 O96028 1/20 0.39
DTYMK P23919 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL1140969 0.85 MET (0.43) METCHRM2CHRM4CHRM1CHRM3
SCHEMBL13645251 0.85 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL14603836 0.84 MET (0.47) METALDH1A1LMNAMAPT
SCHEMBL14603814 0.80 USP30 (0.46) MET
SCHEMBL3860841 0.79 RXFP1 (0.42) METCHRM2CHRM4CHRM1CHRM3
SCHEMBL1231854 0.79 BCHE (0.48) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL12757193 0.77 MEN1 (0.45) METALDH1A1LMNAMAPT
SCHEMBL1041911 0.77 MEN1 (0.45) METALDH1A1LMNAMAPT
SCHEMBL203034 0.77 LATS1 (0.45) METALDH1A1LMNAMAPT
SCHEMBL3863551 0.75 KDM4E (0.47) METKIT

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
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed