SCHEMBL7477294

SCHEMBL7477294

Cn1c(CCc2nc3cc(C(=N)N)ccc3[nH]2)nc2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
F10 P00742 8/20 0.44
F2 P00734 4/20 0.44
TPSAB1 Q15661 3/20 0.44
PRSS1 P07477 3/20 0.44
PLG P00747 2/20 0.44
PLAU P00749 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
F7 P08709 1/20 0.43
F9 P00740 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7476975 0.93 F2 (0.50) APEX1F10F2TPSAB1PRSS1
SCHEMBL7480462 0.90 F10 (0.44) F10F2TPSAB1PRSS1PLG
SCHEMBL7476301 0.86 KLK1 (0.53) F10F2TPSAB1PRSS1PLG
SCHEMBL7478562 0.85 F10 (0.55) APEX1F10F2TPSAB1PRSS1
SCHEMBL7478557 0.83 NPSR1 (0.43) APEX1F10F2TPSAB1PRSS1
SCHEMBL7409221 0.78 F10 (0.66) F10F2TPSAB1PRSS1PLG
SCHEMBL7408823 0.78 F10 (0.59) F10F2TPSAB1PRSS1PLG
SCHEMBL548419 0.78 F10 (0.63) F10F2TPSAB1PRSS1PLG
SCHEMBL11887806 0.77 APEX1 (0.64) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL7402998 0.76 F10 (0.58) F10F2TPSAB1PRSS1PLG

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
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed