SCHEMBL3949406

SCHEMBL3949406

CC(Cl)C(=O)Nc1ccc(C#N)nc1.CCN(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.52
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BRAF P15056 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 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
SCHEMBL1483919 0.91 AR (0.53) ARKCNQ3KCNQ2L3MBTL1FGFR1
SCHEMBL1483214 0.80 KCNQ3 (0.52) ARKCNQ3KCNQ2SMN1; SMN2IDO1
SCHEMBL1483167 0.78 KCNQ3 (0.53) ARKCNQ3KCNQ2IDO1SCN10A
SCHEMBL1483215 0.73 ALDH1A1 (0.48) ARKCNQ3KCNQ2SMN1; SMN2HDAC3
SCHEMBL19776339 0.72 KCNQ3 (0.56) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL13036452 0.72 AR (0.59) ARKCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL31680457 0.72 AR (0.59) ARKCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL20942380 0.72 AR (0.59) ARKCNQ3KCNQ2SMN1; SMN2SCN10A
SCHEMBL1483561 0.72 MAPT (0.56) ARKCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL3305812 0.71 AR (0.57) ARKCNQ3KCNQ2SCN10ABRAF

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-2009019656-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-12 WO disclosed