SCHEMBL8409042

SCHEMBL8409042

N=C(N)c1ccc(-c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TMPRSS6 Q8IU80 6/20 0.59
F2 P00734 4/20 0.59
ALDH1A1 P00352 2/20 0.55
TBXA2R P21731 2/20 0.55
FABP4 P15090 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PKM P14618 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 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
Hydrochloric Acid SCHEMBL8410190 0.85 ALDH1A1 (0.54) LMNATMPRSS6F2ALDH1A1HDAC1
SCHEMBL12348116 0.84 TMPRSS6 (0.57) LMNATMPRSS6F2ALDH1A1PKM
SCHEMBL2009291 0.83 ALDH1A1 (0.72) LMNAALDH1A1TBXA2RFABP4HDAC1
SCHEMBL8949146 0.83 ALDH1A1 (0.54) LMNATMPRSS6F2ALDH1A1TBXA2R
SCHEMBL14599610 0.83 ALDH1A1 (0.57) LMNATMPRSS6F2ALDH1A1TBXA2R
SCHEMBL5541901 0.83 ALDH1A1 (0.57) LMNATMPRSS6F2ALDH1A1TBXA2R
SCHEMBL14599528 0.83 ALDH1A1 (0.57) LMNATMPRSS6F2ALDH1A1TBXA2R
SCHEMBL14599613 0.83 ALDH1A1 (0.57) LMNATMPRSS6F2ALDH1A1TBXA2R
SCHEMBL12348122 0.81 TMPRSS6 (0.58) TMPRSS6F2ALDH1A1CA1CA2
SCHEMBL9029932 0.79 TMPRSS6 (0.53) LMNATMPRSS6F2ALDH1A1PKM

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