SCHEMBL7396115

SCHEMBL7396115

CCOc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.73
PRSS1 P07477 4/20 0.72
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
F10 P00742 1/20 0.45
KDM4E B2RXH2 2/20 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
SCHEMBL8029406 0.85 F2 (0.72) F2PRSS1ALDH1A1L3MBTL1MAPT
SCHEMBL8029555 0.84 F2 (0.53) F2PRSS1ALDH1A1MEN1KMT2A
SCHEMBL8031092 0.84 F2 (1.00) F2PRSS1MEN1KMT2AMAPT
SCHEMBL7434637 0.83 F2 (0.85) F2PRSS1ALDH1A1MEN1KMT2A
SCHEMBL7367313 0.82 F2 (1.00) F2PRSS1ALDH1A1MEN1KMT2A
SCHEMBL7367315 0.82 F2 (1.00) F2PRSS1ALDH1A1MEN1KMT2A
SCHEMBL7367913 0.79 F2 (1.00) F2PRSS1ALDH1A1LMNAF10
SCHEMBL7365097 0.79 F2 (1.00) F2PRSS1F10
SCHEMBL7364521 0.78 F2 (0.86) F2PRSS1ALDH1A1LMNAF10
SCHEMBL7362115 0.72 F2 (0.82) F2PRSS1F10

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
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