SCHEMBL7310517

SCHEMBL7310517

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.65
PRSS1 P07477 4/20 0.65
PRSS2 P07478 4/20 0.65
PRSS3 P35030 4/20 0.65
PLG P00747 1/20 0.65
C1S P09871 1/20 0.65
F10 P00742 2/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
ITGB3 P05106 3/20 0.53
ITGA2B P08514 3/20 0.53
ST14 Q9Y5Y6 3/20 0.50
TMPRSS6 Q8IU80 2/20 0.47
LMNA P02545 2/20 0.47
PLAU P00749 2/20 0.46
MASP2 O00187 1/20 0.45
THPO P40225 1/20 0.45

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
Hydrochloric Acid SCHEMBL11682104 0.98 PRSS1 (0.62) F2PRSS1PRSS2PRSS3PLG
SCHEMBL9449832 0.83 PLA2G10 (0.53) F2PRSS1PRSS2PRSS3PLG
SCHEMBL6940225 0.82 ITGB3 (0.73) F2PRSS1PRSS2PRSS3PLG
SCHEMBL24263917 0.80 F2 (0.65) F2PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL8045403 0.80 ITGB3 (0.71) F2PRSS1PRSS2PRSS3PLG
SCHEMBL4194796 0.80 CA2 (0.46) LMNA
SCHEMBL9449852 0.79 CA2 (0.64) F2PRSS1PRSS2PRSS3PLG
SCHEMBL18892653 0.79 ALDH1A1 (0.43) F2PRSS1PRSS2PRSS3PLG
SCHEMBL1329642 0.78 F2 (1.00) F2PRSS1PRSS2PRSS3PLG
SCHEMBL11409409 0.77 F2 (0.71) F2PRSS1PRSS2PRSS3PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed