SCHEMBL6892536

SCHEMBL6892536

N=C(N)c1ccc(CC(C(N)=O)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
F10 P00742 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
F2 P00734 5/20 0.53
PLG P00747 1/20 0.53
C1S P09871 1/20 0.53
ST14 Q9Y5Y6 4/20 0.49
CPN1 P15169 1/20 0.49
CPB2 Q96IY4 1/20 0.49
TMPRSS6 Q8IU80 2/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
NQO2 P16083 1/20 0.45
WDR5 P61964 1/20 0.44
LMNA P02545 1/20 0.43
MASP2 O00187 1/20 0.43
PLAU P00749 1/20 0.43
THPO P40225 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
SCHEMBL3444924 0.81 EPHX1 (0.48) LMNA
SCHEMBL1064252 0.78 TPH1 (0.66) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL29123763 0.78 HDAC6 (0.59)
SCHEMBL7450129 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL288202 0.78 TPH1 (0.66) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL1397441 0.78 TPH1 (0.66) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL7140360 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL8952285 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL20714851 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL288201 0.78 TPH1 (0.66) PRSS1PRSS2PRSS3F10LOXL2

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
US-6794365-B2 INHIBITORS OF THE BLOOD CLOTTING ENZYME FACTOR XA; TREATING THROMBOEMBOLIC DISEASES; TRIFLUOROACETIC ACID SALT OF 2-(4-CARBAMIMIDOYL-BENZYL)-N-((1-CARBAMOYL-4-GUANIDINO-BUTYLCARBAMOYL) -CYCLOHEXYL-METHYL)-N',N'-DIMETHYL-MALONAMIDE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-21 US disclosed
US-6395737-B1 ANTICOAGULANTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-28 US disclosed