SCHEMBL8409985

SCHEMBL8409985

N=C(N)c1ccc(-c2ccc(CC(=O)N3CCCC(C(=O)O)C3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.56
ITGA2B P08514 4/20 0.56
PRSS1 P07477 5/20 0.54
F2 P00734 3/20 0.54
TPSAB1 Q15661 1/20 0.54
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
TMPRSS15 P98073 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 3/20 0.49
ALDH1A1 P00352 4/20 0.47
PLG P00747 1/20 0.46
PRSS2 P07478 1/20 0.46
C1S P09871 1/20 0.46
PRSS3 P35030 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL8720171 0.86 POLB (0.55) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL8407670 0.85 L3MBTL1 (0.61) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL8409067 0.84 F2 (0.51) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL8886464 0.84 MEN1 (0.57) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL7297767 0.81 ITGB3 (0.56) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL8410661 0.80 SLC6A1 (0.48) ITGB3ITGA2BALDH1A1
SCHEMBL7273455 0.80 ITGB3 (0.54) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL8408077 0.78 F2 (0.50) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL8410566 0.76 ITGB3 (0.61) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL31367822 0.76 KDM2B (0.51) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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