SCHEMBL8409183

SCHEMBL8409183

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
PLG P00747 1/20 0.46
C1S P09871 1/20 0.46
ITGB3 P05106 11/20 0.44
ITGA2B P08514 11/20 0.44
WDR5 P61964 1/20 0.41
NQO2 P16083 1/20 0.40
F10 P00742 3/20 0.40
TMPRSS15 P98073 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL8410938 0.85 F2 (0.41) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8407975 0.77 ITGB3 (0.43) PRSS1F2PRSS2PRSS3PLG
SCHEMBL10805196 0.77 HDAC3 (0.53)
SCHEMBL8407626 0.74 CYP2C19 (0.47) PRSS1F2PRSS2PRSS3PLG
SCHEMBL289158 0.72 ITGB3 (0.74) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8409513 0.72 KMT2A (0.48) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8186382 0.71 ITGB3 (0.72) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8410366 0.71 PRSS1 (0.65) PRSS1F2PLGITGB3ITGA2B
SCHEMBL8410910 0.70 HDAC1 (0.49) PRSS1F2PRSS2PRSS3PLG
SCHEMBL7118598 0.70 ITGB3 (0.74) PRSS1F2PRSS2PRSS3PLG

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-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-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed