SCHEMBL7475217

SCHEMBL7475217

CCCCC(Oc1ccc(C(=N)N)cc1)Oc1ccc(C(=N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
TMPRSS2 O15393 2/20 0.50
PRMT1 Q99873 3/20 0.49
F2 P00734 3/20 0.49
ST14 Q9Y5Y6 3/20 0.49
PLAU P00749 2/20 0.49
PRMT5 O14744 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
PTP4A3 O75365 1/20 0.49
SLC22A3 O75751 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
S100B P04271 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49

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
SCHEMBL112115 0.95 PRSS1 (0.51) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL6724722 0.83 PRSS1 (0.59) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL2180724 0.79 TP53 (0.57)
SCHEMBL5302657 0.78 PRSS1 (0.44) PRSS1PRSS2PRSS3F2ST14
SCHEMBL11229331 0.78 LTA4H (0.52) CHRM2CHRM5ADRA2ACYP2D6ACHE
SCHEMBL2535207 0.78 TDP1 (0.45)
SCHEMBL9650651 0.78 PRSS1 (0.81) PRSS1PRSS2PRSS3TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL11182186 0.76 PRSS1 (0.82) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL6865149 0.76 TSHR (0.50)
SCHEMBL10430533 0.76 PRSS1 (0.44) PRSS1PRSS2PRSS3TMPRSS2PRMT1

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-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 EP disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 WO disclosed