SCHEMBL5412929

SCHEMBL5412929

O=C(O)Nc1ccc2ccccc2c1OCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
MAPK14 Q16539 8/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TNF P01375 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL14530098 0.86 MAPK14 (0.49) MEN1KMT2ACNR1CNR2MAPK14
SCHEMBL5170995 0.84 CNR1 (0.50) MEN1KMT2ACNR1CNR2MAPK14
Hydrochloric Acid SCHEMBL5332847 0.83 CNR1 (0.49) MEN1KMT2ACNR1CNR2MAPK14
SCHEMBL1856087 0.79 POLB (0.64) MEN1KMT2APOLBKDM4E
SCHEMBL5171331 0.77 CNR1 (0.51) MEN1KMT2ACNR1CNR2MAPK14
SCHEMBL5172571 0.75 CYP1A2 (0.59) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL11171967 0.75 NPC1 (0.59) MEN1KMT2APOLBTSHR
SCHEMBL10130103 0.74 CNR1 (0.73) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL5313808 0.73 KDM4E (0.51) MEN1KMT2APOLBKDM4ETSHR
SCHEMBL10130090 0.73 MAPK14 (0.70) KMT2ACNR1CNR2MAPK14MAPK13

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-2007054836-A2 1, 2-SUBSTITUTED NAPHTHALENE DERIVATIVES WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-05-18 WO disclosed