SCHEMBL4736992

SCHEMBL4736992

CCN(c1ccc(CN(C(=O)c2csc(C)n2)c2ccc(OC)cc2)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
TP53 P04637 3/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
TSPO P30536 1/20 0.38
PDK1 Q15118 1/20 0.38
BCL2A1 Q16548 2/20 0.38

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
SCHEMBL4734077 0.92 TP53 (0.40) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3819010 0.78 RNF4 (0.47) MEN1KMT2ADRD2DRD3TSPO
SCHEMBL4734150 0.76 KMT2A (0.48) MEN1KMT2AALDH1A1LMNADRD2
SCHEMBL4737523 0.76 ALDH1A1 (0.45) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3819221 0.75 CHRM2 (0.44) MEN1KMT2ADRD2DRD3TSPO
SCHEMBL4735333 0.74 ALDH1A1 (0.48) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL4737670 0.73 SMN1; SMN2 (0.46) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3053871 0.72 CNR2 (0.41) DRD2DRD3TSPOBCL2A1CHRM2
SCHEMBL27594337 0.71 CNR1 (0.41) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3824522 0.71 CHRM1 (0.47) MEN1KMT2AALDH1A1LMNADRD2

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