SCHEMBL8978487

SCHEMBL8978487

CCC(=O)NCCN(CC)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
GFER P55789 3/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.49
KCNH2 Q12809 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47

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
SCHEMBL9819666 0.89 KMT2A (0.63) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL9180518 0.87 KMT2A (0.72) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8394269 0.86 GAA (0.53) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8978503 0.85 MTNR1A (0.68) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL12513507 0.81 KMT2A (0.65) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL13151453 0.81 MEN1 (0.82) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL554715 0.80 KMT2A (0.56) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8399559 0.78 MAPT (0.54) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL10113801 0.78 GFER (0.46) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL13203896 0.78 GFER (0.46) MEN1KMT2AMAPTGAASMN1; SMN2

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-0708757-A1 BENZIMIDAZOLE-DERIVATIZED AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
WO-1995002581-A1 BENZIMIDAZOLE-DERIVATIZED AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed