SCHEMBL7363933

SCHEMBL7363933

NN=CNc1ccc(CCN(CC(=O)O)c2cccc(C=NN)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.36
PRSS1 P07477 5/20 0.36
PRSS2 P07478 5/20 0.36
PRSS3 P35030 5/20 0.36
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
RORC P51449 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
CA9 Q16790 3/20 0.32
CA7 P43166 1/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7361146 0.93 F2 (0.40) F2PRSS1PRSS2PRSS3CA1
Hydrochloric Acid SCHEMBL7361555 0.92 F2 (0.39) F2PRSS1PRSS2PRSS3CA1
Hydrochloric Acid SCHEMBL7463042 0.88 F2 (0.38) F2PRSS1PRSS2PRSS3CA1
Trifluoroacetic Acid SCHEMBL7458550 0.82 F2 (0.41) F2PRSS1PRSS2PRSS3RORC
SCHEMBL7360778 0.78 SMN1; SMN2 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7363938 0.77 LPAR1 (0.32) CA1CA2ALDH1A1
SCHEMBL7364865 0.76 SMN1; SMN2 (0.39) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7368094 0.74 CA1 (0.38) CA1CA2ALDH1A1CA9CA7
SCHEMBL7363751 0.72 F2 (0.42) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7368633 0.71 NR1H4 (0.41)

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-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed