SCHEMBL8410366

SCHEMBL8410366

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.65
TMPRSS2 O15393 2/20 0.65
PRMT1 Q99873 3/20 0.63
F2 P00734 2/20 0.63
ST14 Q9Y5Y6 2/20 0.63
PLAU P00749 1/20 0.63
PRMT5 O14744 1/20 0.63
SLC22A2 O15244 1/20 0.63
SLC22A1 O15245 1/20 0.63
PTP4A3 O75365 1/20 0.63
SLC22A3 O75751 1/20 0.63
F10 P00742 1/20 0.63
PLG P00747 1/20 0.63
S100B P04271 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM4 P08173 1/20 0.63
CHRM5 P08912 1/20 0.63
ADRA2A P08913 1/20 0.63
CYP2D6 P10635 1/20 0.63
AOC1 P19801 1/20 0.63

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
SCHEMBL8407255 0.95 PRSS1 (0.68) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL7748657 0.95 PRSS1 (0.71) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8409943 0.93 PRSS1 (0.69) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL8407185 0.92 PRSS1 (0.64) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL7748746 0.91 PRSS1 (0.74) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL5522432 0.89 PRMT1 (0.75) PRSS1TMPRSS2PRMT1F2ST14
Pentamidine SCHEMBL21462087 0.89 PRMT1 (0.75) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL14599520 0.89 PRMT1 (0.75) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL5526299 0.88 PRSS1 (0.76) PRSS1TMPRSS2PRMT1F2ST14
Pentamidine SCHEMBL27820863 0.88 PRMT1 (0.77) PRSS1TMPRSS2PRMT1F2ST14

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