SCHEMBL8714699

SCHEMBL8714699

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 5/20 0.39
NQO2 P16083 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
WDR5 P61964 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL8407975 0.85 ITGB3 (0.43) NQO2WDR5ITGB3ITGA2BF2
SCHEMBL3201821 0.81 MAPT (0.42) MAPT
SCHEMBL8410938 0.80 F2 (0.41) TMPRSS15NQO2F2F10PRSS1
SCHEMBL20545052 0.77 CA12 (0.40) ALDH1A1GAAMAPTHSD17B10
SCHEMBL3196799 0.77 MAPT (0.45) ALDH1A1MAPT
SCHEMBL29131295 0.77 MAPT (0.45) ALDH1A1MAPT
SCHEMBL20545009 0.76 LMNA (0.47) KDM4EALDH1A1MAPT
SCHEMBL9093411 0.76 PRMT1 (0.63) F2F10PRSS1
Hydrochloric Acid SCHEMBL8409252 0.76 PRSS1 (0.63) F2F10PRSS1
Hydrochloric Acid SCHEMBL8407932 0.76 HDAC1 (0.47) TMPRSS15

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-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