SCHEMBL4737523

SCHEMBL4737523

CCN(c1ccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)c2ccc(OC)cc2)cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RNF4 P78317 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.42
CYP19A1 P11511 1/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.42
GLS O94925 2/20 0.41

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
SCHEMBL4735205 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ACHRM2
SCHEMBL4737670 0.83 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL8185813 0.77 CNR2 (0.48) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL4736992 0.76 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2ACHRM2
SCHEMBL8193397 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3819010 0.74 RNF4 (0.47) MEN1KMT2ARNF4CHRM2CHRM3
SCHEMBL3824522 0.73 CHRM1 (0.47) ALDH1A1LMNAMEN1KMT2ARNF4
SCHEMBL8193347 0.73 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4734150 0.73 KMT2A (0.48) ALDH1A1LMNAMEN1KMT2ACHRM2
SCHEMBL3819221 0.72 CHRM2 (0.44) MEN1KMT2ARNF4CHRM2CHRM3

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