SCHEMBL9853319

SCHEMBL9853319

CC(Cc1cc(N)ccc1N)c1cc(N)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.33
PRKCI P41743 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL30227313 0.80 MAPT (0.41) CASP1PRKCIGAAALDH1A1ACHE
SCHEMBL2339661 0.80 MAPT (0.41) CASP1PRKCIGAAALDH1A1ACHE
SCHEMBL249358 0.79 ALDH1A1 (0.43) CASP1PRKCIGAAALDH1A1MAPT
SCHEMBL28252267 0.77 CASP1 (0.35) CASP1PRKCIGAAALDH1A1ACHE
SCHEMBL7089523 0.77 ALDH1A1 (0.38) CASP1GAAALDH1A1MAPTTSHR
SCHEMBL3839781 0.77 PRKCI (0.39) CASP1PRKCIGAAALDH1A1ACHE
SCHEMBL819512 0.76 TDP1 (0.39) CASP1GAAALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL26979264 0.76 ACHE (0.41) CASP1PRKCIGAAALDH1A1ACHE
SCHEMBL11810115 0.76 GAA (0.37) CASP1PRKCIGAAALDH1A1MAPT
SCHEMBL29433029 0.73 CASP1 (0.42) CASP1GAAALDH1A1MAPTTSHR

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-0422439-A2 Aminomethanephosphonic acid esters, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP claimed
EP-0422439-A2 Aminomethanephosphonic acid esters, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed