SCHEMBL6614404

SCHEMBL6614404

N#CN(Nc1cc(F)ccc1F)C(=N)Nc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
GRK2 P25098 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL4685495 0.73 SMN1; SMN2 (0.39) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL6641958 0.70 SLC6A9 (0.30)
SCHEMBL11880613 0.70 SMN1; SMN2 (0.44) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL4685493 0.66 ALDH1A1 (0.39) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL11196325 0.66 POLB (0.55) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL4685491 0.66 ALDH1A1 (0.39) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL4095279 0.65 SMN1; SMN2 (0.40) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL15577575 0.64 SMN1; SMN2 (0.57) SMN1; SMN2HTTKMT2APOLBMAPT
Hydrochloric Acid SCHEMBL16702112 0.64 SMN1; SMN2 (0.39) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL6613001 0.63 MEN1 (0.46) SMN1; SMN2HTTKMT2AMAPTMEN1

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
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed