SCHEMBL7366733

SCHEMBL7366733

N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.75
F2 P00734 15/20 0.75
PRSS1 P07477 14/20 0.75
F9 P00740 3/20 0.75
CNR2 P34972 1/20 0.49
ICMT O60725 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
IDO1 P14902 1/20 0.47
HRH3 Q9Y5N1 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
SCHEMBL7367326 0.86 F10 (1.00) F10F2PRSS1F9PRSS2
SCHEMBL31127597 0.83 CNR2 (0.54) F10F2PRSS1F9CNR2
SCHEMBL7371135 0.81 F2 (0.59) F10F2PRSS1F9HRH3
SCHEMBL7449310 0.81 F10 (1.00) F10F2PRSS1F9PRSS2
SCHEMBL6616732 0.75 F10 (0.78) F10F2PRSS1F9PRSS2
SCHEMBL1982997 0.75 F10 (1.00) F10F2PRSS1F9PRSS2
SCHEMBL18229449 0.75 LMNA (0.57) HRH3
SCHEMBL31127596 0.74 F2 (0.49) F10F2PRSS1F9CNR2
SCHEMBL2008370 0.74 ICMT (0.81) CNR2ICMT
SCHEMBL31127587 0.74 ANO1 (0.52) F10F2PRSS1F9CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP claimed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO claimed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed