SCHEMBL8407975

SCHEMBL8407975

N=C(N)c1ccc(-c2ccc([S+]([O-])CCCCC(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.43
ITGA2B P08514 11/20 0.43
WDR5 P61964 1/20 0.42
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
C1S P09871 1/20 0.40
PRSS3 P35030 1/20 0.40
NQO2 P16083 2/20 0.39

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
SCHEMBL8714699 0.85 TMPRSS15 (0.39) ITGB3ITGA2BWDR5F2PRSS1
SCHEMBL8409183 0.77 PRSS1 (0.46) ITGB3ITGA2BWDR5F2PLG
SCHEMBL6688879 0.76 HDAC3 (0.47)
SCHEMBL11368813 0.75 HDAC3 (0.50)
SCHEMBL8410910 0.74 HDAC1 (0.49) ITGB3ITGA2BWDR5F2PLG
SCHEMBL2212818 0.74 HSD17B10 (0.54)
SCHEMBL8407255 0.73 PRSS1 (0.68) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8407224 0.72 ALDH1A1 (0.51) ITGB3ITGA2BWDR5NQO2
SCHEMBL8410366 0.71 PRSS1 (0.65) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL11374320 0.71 CYP1A1 (0.40)

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