SCHEMBL8895301

SCHEMBL8895301

CN(C(=O)O)C(=O)CN(C)c1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
NQO2 P16083 11/20 0.42
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
C1S P09871 1/20 0.38
PRSS3 P35030 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLAU P00749 1/20 0.37

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
SCHEMBL8895306 0.77 F7 (0.43) WDR5NQO2ITGB3ITGA2BPRSS1
SCHEMBL8885569 0.77 PRSS1 (0.53) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8886356 0.73 ITGB3 (0.59) WDR5NQO2ITGB3ITGA2BPLAU
Hydrochloric Acid SCHEMBL8887063 0.72 F2 (0.44) NQO2ITGB3ITGA2BF2PRSS1
SCHEMBL13618604 0.71 PRSS1 (0.47) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8407326 0.71 NQO2 (0.45) WDR5NQO2ITGB3ITGA2B
SCHEMBL8886144 0.71 ITGB3 (0.54) WDR5NQO2ITGB3ITGA2BPLAU
Acetic Acid SCHEMBL398148 0.71 NQO2 (0.72) WDR5NQO2F2ALDH1A1
SCHEMBL9259667 0.70 ITGB3 (0.39) NQO2ITGB3ITGA2BPLAU
SCHEMBL8887767 0.68 ITGB3 (0.47) WDR5NQO2ITGB3ITGA2BPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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