SCHEMBL4737103

SCHEMBL4737103

CN1CCN(c2nc(CN(C(=O)c3cccnc3)c3ccc(F)cc3)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
CXCR2 P25025 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM1 Q13255 1/20 0.38
KMT2A Q03164 2/20 0.37
DNM1L O00429 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4738953 0.97 GAA (0.40) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4735442 0.89 AR (0.43) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4735446 0.89 MAPK14 (0.40) GAAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL4737675 0.89 GAA (0.42) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4739654 0.88 LMNA (0.38) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4738932 0.87 GAA (0.41) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4738302 0.85 GAA (0.40) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4739012 0.84 GAA (0.40) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL3066236 0.83 SMN1; SMN2 (0.43) GAATSHRHTTMAPTSMN1; SMN2
SCHEMBL4737961 0.82 GAA (0.39) GAATSHRHTTMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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