SCHEMBL11501758

SCHEMBL11501758

N#CCN1CCN(CCN2CCN(CC#N)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
PKM P14618 1/20 0.57
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1306258 0.92 POLB (0.56) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL11701515 0.91
SCHEMBL2576487 0.91 ALDH1A1 (0.50) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL7137154 0.91 ALDH1A1 (0.50) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL1306972 0.88 ALDH1A1 (0.56) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL13377043 0.87 ALDH1A1 (0.80) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL1100728 0.85 ALDH1A1 (0.52) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL13520193 0.85 ALDH1A1 (0.48) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL12921487 0.85 ALOX15 (0.62) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL4665999 0.85 ALDH1A1 (0.48) ALDH1A1PKMPOLBMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US disclosed