SCHEMBL4737099

SCHEMBL4737099

CCN(c1cccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccc(F)cc2)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOA P21397 6/20 0.39
CASP6 P55212 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC2A1 P11166 1/20 0.36
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4734946 0.82 LMNA (0.58) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL4735333 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL4738981 0.78 LMNA (0.41) LMNA
SCHEMBL3821794 0.78 OPRM1 (0.39) ALDH1A1LMNAMAOAKDM4EHTT
SCHEMBL3059109 0.77 ACHE (0.39) LMNAMEN1KMT2ACYP3A4CYP2C9
Hydrochloric Acid SCHEMBL3064216 0.77 ACHE (0.39) LMNAMEN1KMT2ACYP3A4CYP2C9
SCHEMBL4733711 0.76 LMNA (0.39) ALDH1A1LMNAKDM4EHTTMAPT
SCHEMBL3064159 0.76 CHRM1 (0.42) MEN1KMT2A
SCHEMBL3819363 0.76 ATM (0.39) LMNA
SCHEMBL4736548 0.73 ALDH1A1 (0.42) ALDH1A1LMNAMEN1POLBKMT2A

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed