SCHEMBL7367315

SCHEMBL7367315

COC(=O)C=Cc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 1.00
PRSS1 P07477 4/20 1.00
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
F10 P00742 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL7367313 1.00 F2 (1.00) F2PRSS1ALDH1A1LMNAGAA
SCHEMBL7363721 0.85 F2 (0.75) F2PRSS1ALDH1A1MEN1KMT2A
SCHEMBL7363726 0.85 F2 (0.75) F2PRSS1ALDH1A1MEN1KMT2A
SCHEMBL7359272 0.85 F2 (0.74) F2PRSS1ALDH1A1LMNAGAA
SCHEMBL7359275 0.85 F2 (0.74) F2PRSS1ALDH1A1LMNAGAA
SCHEMBL7396115 0.82 F2 (0.73) F2PRSS1ALDH1A1LMNAF10
SCHEMBL7434637 0.82 F2 (0.85) F2PRSS1ALDH1A1F10KDM4E
SCHEMBL8031092 0.80 F2 (1.00) F2PRSS1F10KDM4EMEN1
SCHEMBL8029406 0.80 F2 (0.72) F2PRSS1ALDH1A1F10KDM4E
SCHEMBL7365097 0.75 F2 (1.00) F2PRSS1F10RAB9A

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