SCHEMBL7106023

SCHEMBL7106023

N=C(N)c1ccc(S(=O)(=O)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.58
PRSS1 P07477 6/20 0.58
PRSS3 P35030 6/20 0.58
PRSS2 P07478 5/20 0.58
TMPRSS6 Q8IU80 3/20 0.51
LMNA P02545 2/20 0.48
PLAU P00749 2/20 0.48
MASP2 O00187 1/20 0.48
THPO P40225 1/20 0.48
APEX1 P27695 1/20 0.46
ST14 Q9Y5Y6 3/20 0.45
PRMT5 O14744 1/20 0.45
PRMT1 Q99873 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F10 P00742 2/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44

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
Benzamidine SCHEMBL21327791 0.86 F2 (0.61) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL18633389 0.80 CA2 (0.65) F2PRSS1PRSS3PRSS2LMNA
SCHEMBL4718975 0.80 F2 (0.60) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL4718976 0.80 CA2 (0.67) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL1818606 0.78 PRSS1 (0.58) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL423771 0.78 F2 (0.58) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL17803155 0.78 F2 (0.53) F2PRSS1PRSS3PRSS2TMPRSS6
Benzamidine SCHEMBL3427811 0.78 F2 (0.66) F2PRSS1PRSS3PRSS2TMPRSS6
4-Methylbenzimidamide SCHEMBL1050355 0.77 NQO2 (0.51) F2PRSS1PRSS3PRSS2LMNA
Hydrochloric Acid SCHEMBL4176794 0.77 PRSS1 (0.56) F2PRSS1PRSS3PRSS2TMPRSS6

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-20030186345-A1 Macromolecular enzyme substrates GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, THE 2003-10-02 US disclosed
WO-2002010439-A2 MACROMOLECULAR ENZYME SUBSTRATES THE GOVERNMENT OF UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-02-07 WO disclosed