SCHEMBL8519626

SCHEMBL8519626

N=C(N)c1ccc(-c2ccc(NC(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.69
▸ ITGA2B P08514 6/20 0.69
▸ F2 P00734 2/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TMPRSS6 Q8IU80 1/20 0.51
▸ ST14 Q9Y5Y6 1/20 0.51
▸ F7 P08709 4/20 0.51
▸ S1PR1 P21453 1/20 0.49
▸ ITGB2 P05107 1/20 0.48
▸ ITGAM P11215 1/20 0.48

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
SCHEMBL7388492 0.92 ITGB3 (0.82) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL8410378 0.84 ITGB3 (0.50) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8407980 0.82 F10 (0.60) ITGB3ITGA2BPRSS1ITGB2ITGAM
SCHEMBL7347492 0.82 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9335890 0.82 ITGB3 (0.71) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL4426386 0.81 F7 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL27183437 0.81 S1PR1 (0.57) ITGB3ITGA2BS1PR1
SCHEMBL7390323 0.80 ITGB3 (0.76) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7343876 0.80 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9440340 0.80 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1PRSS2

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
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