SCHEMBL8407192

SCHEMBL8407192

COC(=O)COc1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
POLB P06746 1/20 0.52
TMPRSS2 O15393 2/20 0.51
PRMT1 Q99873 3/20 0.50
F2 P00734 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
MAPT P10636 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PLAU P00749 1/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50

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
SCHEMBL8409575 1.00 PRSS1 (0.54) PRSS1PRSS2PRSS3POLBTMPRSS2
SCHEMBL7283709 0.88 ITGB3 (0.52) PRSS1PRSS2PRSS3POLBTMPRSS2
SCHEMBL7721357 0.87 PRSS1 (0.56) PRSS1PRSS2PRSS3POLBF2
SCHEMBL8378203 0.86 PRSS1 (0.49) PRSS1PRSS2PRSS3POLBTMPRSS2
SCHEMBL8410164 0.85 PRSS1 (0.58) PRSS1PRSS2PRSS3TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL8887198 0.83 ITGB3 (0.61) PRSS1PRSS2PRSS3POLBMAPT
SCHEMBL8407198 0.83 ITGB3 (0.69) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL8410645 0.83 ITGB3 (0.69) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL7292847 0.83 ITGB3 (0.56) PRSS1PRSS2PRSS3POLBTMPRSS2
SCHEMBL7344446 0.82 PLAU (0.54) PRSS1POLBTMPRSS2F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed