SCHEMBL10543793

SCHEMBL10543793

N#C[CH]c1cccc(Cc2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
PTPN5 P54829 1/20 0.37
NFE2L2 Q16236 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
HDAC4 P56524 1/20 0.34
MEF2D Q14814 1/20 0.34
ELANE P08246 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL10544818 0.86 CALM1 (0.44) MAOAMAOBELANEIDH1SMN1; SMN2
SCHEMBL10548359 0.84 PTPN5 (0.36) MAOAMAOBPTPN5HDAC4MEF2D
SCHEMBL11400148 0.80 MAOA (0.59) MAOAMAOBPTPN5NFE2L2LOXL2
SCHEMBL16504800 0.76 LOXL2 (0.50) MAOAMAOBPTPN5LOXL2CYP17A1
SCHEMBL525893 0.75 NFE2L2 (0.58) NFE2L2CYP3A4MAPK1NPC1MAPT
SCHEMBL10543807 0.75 ENPP2 (0.46) MAOAMAOBPTPN5LOXL2CYP17A1
SCHEMBL7929350 0.73 TAAR1 (0.52) MAOBPTPN5LOXL2CYP17A1CYP3A4
SCHEMBL10836716 0.71 XDH (0.39) CYP3A4LMNAMAPTHTTSMN1; SMN2
SCHEMBL10550570 0.71 ALDH1A1 (0.47) MAOAMAOBNFE2L2CYP3A4LMNA
SCHEMBL10547691 0.71 MAOA (0.40) MAOAMAOBNFE2L2HDAC4CYP3A4

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
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed