SCHEMBL6159210

SCHEMBL6159210

N=C(N)c1ccc2[nH]c(Cc3ncc[nH]3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.65
TPSAB1 Q15661 3/20 0.65
F2 P00734 3/20 0.65
PRSS1 P07477 2/20 0.65
PLG P00747 1/20 0.65
PLAU P00749 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
TPSD1 Q9BZJ3 1/20 0.64
TPSG1 Q9NRR2 1/20 0.64
F7 P08709 2/20 0.62
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL30697529 0.91 F10 (0.80) F10TPSAB1F2PRSS1PLG
SCHEMBL65730 0.88 F10 (0.77) F10TPSAB1F2PRSS1PLG
SCHEMBL4322200 0.87 TPSAB1 (0.78) F10TPSAB1F2PRSS1PLG
SCHEMBL6163820 0.84 F10 (0.85) F10TPSAB1F2PRSS1PLG
SCHEMBL7403124 0.84 F10 (0.67) F10TPSAB1F2PRSS1PLG
SCHEMBL7406863 0.83 F10 (0.76) F10TPSAB1F2PRSS1PLG
Hydrochloric Acid SCHEMBL28579078 0.83 F10 (0.82) F10TPSAB1F2PRSS1PLG
Hydrochloric Acid SCHEMBL30386514 0.83 F10 (0.82) F10TPSAB1F2PRSS1PLG
SCHEMBL7405535 0.82 F10 (0.65) F10TPSAB1F2PRSS1PLG
SCHEMBL7406681 0.82 F10 (0.68) F10TPSAB1F2PRSS1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 WO disclosed