SCHEMBL6526231

SCHEMBL6526231

Nc1cccc(CCN2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNJ1 P48048 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
CTSB P07858 1/20 0.40

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
SCHEMBL5845501 0.83 SIGMAR1 (0.56) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL16054115 0.81 CYP1A2 (0.43) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6529829 0.80 POLB (0.45) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL3723081 0.79 SIGMAR1 (0.64) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL738862 0.79 SIGMAR1 (0.47) POLBSIGMAR1
SCHEMBL3718831 0.78 SIGMAR1 (0.60) POLBMEN1KMT2ASIGMAR1
SCHEMBL23064564 0.77 MEN1 (0.43) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL28795437 0.74 CTSB (0.48) POLBMEN1KMT2ALMNAKDM4E
SCHEMBL28344098 0.74 SIGMAR1 (0.49) POLBMEN1KMT2ASIGMAR1MAPT
SCHEMBL16054145 0.73 MAPT (0.51) MEN1KMT2ACYP1A2CYP2D6MAPK1

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-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed