SCHEMBL7149996

SCHEMBL7149996

Cc1ccccc1NCCCCN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.73
HTT P42858 2/20 0.73
KAT2B Q92831 5/20 0.53
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.44
ADRA2C P18825 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CHRM2 P08172 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL18389925 0.98 MAPT (0.70) MAPTHTTKAT2BGAAIDO1
SCHEMBL7559659 0.94 MAPT (0.76) MAPTHTTKAT2BGAAIDO1
SCHEMBL6954997 0.86 MAPT (0.75) MAPTHTTKAT2BGAAIDO1
SCHEMBL29379717 0.85 MAPT (1.00) MAPTHTTGAAADRA2CALDH1A1
SCHEMBL76608 0.85 MAPT (1.00) MAPTHTTGAAADRA2CALDH1A1
SCHEMBL19029856 0.84 KAT2B (0.52) MAPTHTTKAT2BGAAALDH1A1
Hydrochloric Acid SCHEMBL2342540 0.83 MAPT (0.95) MAPTHTTKAT2BGAAADRA2C
SCHEMBL30525803 0.83 MAPT (0.95) MAPTHTTGAAADRA2CALDH1A1
SCHEMBL11934958 0.83 MAPT (0.50) MAPTHTTKAT2BGAAIDO1
SCHEMBL3683031 0.82 HTT (0.69) MAPTHTTGAAADRA2CALDH1A1

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-1350102-A2 DETECTION OF ANALYTES Sensors for Medicine and Science, Inc. (US) 2003-10-08 EP disclosed
WO-2002054067-A2 DETECTION OF ANALYTES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2002-07-11 WO disclosed