SCHEMBL8446206

SCHEMBL8446206

CO/C(N)=N\C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLAU P00749 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5969414 1.00 ALDH1A1 (0.51) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL8444365 0.86 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL3993457 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL6375277 0.83 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL7346308 0.82 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL2185619 0.80 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL20412237 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL22492382 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL1516856 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL13391450 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701550-B1 PROCESS FOR THE PRODUCTION OF AMINOALKYLGUANIDINES ASTRA AB (SE) 1999-03-31 EP disclosed
US-5659071-A Process for the production of aminoalkylguanidines ASTRA AKTIEBOLAG (SE) 1997-08-19 US disclosed
EP-0701550-A1 PROCESS FOR THE PRODUCTION OF AMINOALKYLGUANIDINES Astra Aktiebolag (SE) 1996-03-20 EP disclosed
US-5498724-A Pyrazoleamidine compounds AKTIEBOLAGET ASTRA (SE) 1996-03-12 US disclosed
WO-1994029269-A1 PROCESS FOR THE PRODUCTION OF AMINOALKYLGUANIDINES ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed