SCHEMBL4737529

SCHEMBL4737529

O=C(Nc1ccc(F)cc1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.73
KCNQ2 O43526 2/20 0.73
MAPT P10636 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
STAT3 P40763 1/20 0.71
CYP1A2 P05177 3/20 0.71
CYP2C19 P33261 2/20 0.71
LMNA P02545 2/20 0.71
HTT P42858 1/20 0.71
RAB9A P51151 6/20 0.66
NPC1 O15118 4/20 0.66
HDAC10 Q969S8 1/20 0.65
DGAT1 O75907 1/20 0.64
EGFR P00533 1/20 0.60
ERBB3 P21860 1/20 0.60
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL8769978 0.90 MAPT (0.70) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL4251030 0.88 MAPT (0.86) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL4247738 0.88 MAPT (0.86) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL4257469 0.86 KCNQ3 (0.65) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL3058918 0.85 RAB9A (0.72) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL4738294 0.85 HDAC2 (0.67) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL3461764 0.85 MAPT (0.64) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
Hydrochloric Acid SCHEMBL3826978 0.84 RAB9A (0.71) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL4250462 0.84 MAPT (0.67) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL3063610 0.83 ALDH1A1 (0.60) KCNQ3KCNQ2MAPTSMN1; SMN2CYP1A2

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