SCHEMBL8029686

SCHEMBL8029686

CNc1nc(NCc2c(C)cc(C)cc2C)ccc1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
TBXA2R P21731 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
SHMT2 P34897 1/20 0.37

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
SCHEMBL937493 0.85 MEN1 (0.42) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL953928 0.83 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL30796708 0.83 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL939352 0.77 MEN1 (0.42) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL8040305 0.77 KCNQ2 (0.46) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL955731 0.76 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL8039910 0.76 KCNQ2 (0.47) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL964559 0.75 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2ABCB11
SCHEMBL30795010 0.74 KCNQ2 (0.46) MEN1KMT2AKCNQ3KCNQ2L3MBTL1
SCHEMBL1172904 0.74 KCNQ2 (0.46) MEN1KMT2AKCNQ3KCNQ2L3MBTL1

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-2009074591-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO disclosed