SCHEMBL8086756

SCHEMBL8086756

C=C(Nc1cccc(C#N)c1)c1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
IDO1 P14902 1/20 0.49
KCNH2 Q12809 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RY2 P41231 1/20 0.46
GPR17 Q13304 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4252916 0.84 KCNK3 (0.72) MAPTMEN1KMT2AKCNK3KCNK9
SCHEMBL21022112 0.80 MAPT (0.48) MAPTALDH1A1MEN1KMT2AIDO1
SCHEMBL18774009 0.79 KCNK3 (0.51) MAPTALDH1A1MEN1KMT2AKCNK3
SCHEMBL12707417 0.78 MEN1 (0.57) MAPTALDH1A1MEN1KMT2AKCNK3
SCHEMBL22439869 0.78 NPC1 (0.53) MAPTMEN1KMT2AKCNK3KCNK9
SCHEMBL30619678 0.76 NPSR1 (0.60) MAPTALDH1A1MEN1KMT2AIDO1
SCHEMBL21439863 0.76 NPSR1 (0.60) MAPTALDH1A1MEN1KMT2AIDO1
SCHEMBL8085283 0.75 KCNK3 (0.48) MAPTALDH1A1MEN1KMT2AKCNK3
SCHEMBL18773854 0.74 SMN1; SMN2 (0.53) MAPTALDH1A1MEN1KMT2AKCNK3
SCHEMBL18773926 0.74 TP53 (0.49) MAPTALDH1A1MEN1KMT2AKCNK3

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-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed