SCHEMBL27798367

SCHEMBL27798367

O=C(NO)C(c1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57
SIGMAR1 Q99720 2/20 0.54
HDAC1 Q13547 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.50
CACNA1G O43497 1/20 0.49
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
DRD4 P21917 2/20 0.47
MEN1 O00255 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL27798383 0.88 SCN5A (0.61) FAAHSCN5ASCN9ASIGMAR1HDAC1
SCHEMBL27798555 0.86 SCN5A (0.61) FAAHSCN5ASCN9ASIGMAR1HDAC1
SCHEMBL2844904 0.85 SCN5A (0.76) SCN5ASCN9ASIGMAR1HDAC1KDM4E
SCHEMBL16226778 0.81 GAA (0.62) FAAHHDAC1KDM4EALDH1A1GAA
SCHEMBL27798373 0.80 SCN5A (0.60) SCN5ASCN9AGAALMNAKMT2A
SCHEMBL27777213 0.78 HTT (0.57) KDM4EALDH1A1GAALMNAKMT2A
SCHEMBL2929974 0.78 FAAH (0.72) FAAHSIGMAR1KDM4EALDH1A1GAA
SCHEMBL27798370 0.78 SCN5A (0.65) SCN5ASCN9ASIGMAR1HDAC1KDM4E
SCHEMBL6865563 0.77 FAAH (0.61) FAAHSIGMAR1HDAC1KDM4EALDH1A1
SCHEMBL27777279 0.77 SCN5A (0.61) SCN5ASCN9ASIGMAR1HDAC1KDM4E

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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed