SCHEMBL8120643

SCHEMBL8120643

N=C(N)c1cccc([C]=O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.52
PRSS2 P07478 6/20 0.52
PRSS3 P35030 6/20 0.52
F2 P00734 3/20 0.52
C1S P09871 2/20 0.52
PLG P00747 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.48
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
NOS1 P29475 1/20 0.46

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
SCHEMBL7136929 0.82 PARP1 (0.55)
SCHEMBL4687380 0.80 WDR5 (0.56) PRSS1PRSS2PRSS3F2F10
SCHEMBL9608570 0.80 PRSS1 (0.53) PRSS1PRSS2PRSS3F2C1S
SCHEMBL4680426 0.79 FURIN (0.44) F10
Hydrochloric Acid SCHEMBL2869263 0.78 PRSS1 (0.55) PRSS1PRSS2PRSS3F2C1S
SCHEMBL18574572 0.78 ASIC3 (0.70) PRSS1PRSS2PRSS3F2C1S
SCHEMBL15547311 0.78 PRSS1 (0.70) PRSS1PRSS2PRSS3F2C1S
SCHEMBL1679846 0.78 GSK3B (0.41) PKM
Hydrochloric Acid SCHEMBL28555629 0.75 PRSS1 (0.74) PRSS1PRSS2PRSS3F2C1S
Hydrochloric Acid SCHEMBL28253026 0.75 PRSS1 (0.74) PRSS1PRSS2PRSS3F2C1S

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-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO disclosed