SCHEMBL7149998

SCHEMBL7149998

Cc1ccc(NCCCCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
PRSS1 P07477 6/20 0.46
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
AURKA O14965 1/20 0.43
JAK1 P23458 1/20 0.43
KDR P35968 1/20 0.43
SYK P43405 1/20 0.43
KCNH2 Q12809 1/20 0.43
LRRK2 Q5S007 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KAT2B Q92831 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
SCHEMBL11935541 0.98 MAPT (0.68) MAPTPRSS1F2PRSS2PRSS3
SCHEMBL14661687 0.98 MAPT (0.68) MAPTPRSS1F2PRSS2PRSS3
SCHEMBL178398 0.94 MAPT (0.74) MAPTPRSS1HTTGAAALDH1A1
SCHEMBL3297792 0.85 MAPT (0.73) MAPTSYKHTTGAAALDH1A1
SCHEMBL11518048 0.84 MAPT (0.80) MAPTPRSS1HTTGAAALDH1A1
SCHEMBL2065837 0.84 MAPT (1.00) MAPTHTTGAAALDH1A1
SCHEMBL854573 0.83 MAPT (0.46) MAPTPRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL28699276 0.83 MAPT (0.70) MAPTSYKHTTGAAALDH1A1
SCHEMBL13639541 0.83 MAPT (0.70) MAPTPRSS1HTTGAAALDH1A1
SCHEMBL11748511 0.82 MAPT (0.52) MAPTPRSS1F2PRSS2PRSS3

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