SCHEMBL8169677

SCHEMBL8169677

CC(C)(C)c1cc(C(=O)NC(=N)N)cc(C(C)(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SYK P43405 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
TNFRSF1A P19438 1/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 2/20 0.40

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 SCHEMBL8507210 0.98 LMNA (0.44) LMNARECQLGAAALDH1A1TDP1
SCHEMBL8768105 0.83 HSP90AA1 (0.49) LMNAALDH1A1TYRHTT
SCHEMBL8608128 0.82 ALOX5 (0.45) LMNARECQLGAAALDH1A1TDP1
Hydrochloric Acid SCHEMBL8506619 0.81 HSP90AA1 (0.48) LMNAALDH1A1TYRHTT
SCHEMBL6960979 0.80 GAA (0.61) LMNARECQLGAAALDH1A1TDP1
SCHEMBL8168277 0.79 HDAC3 (0.46) GAAALDH1A1TDP1CA2CA1
SCHEMBL1708401 0.79 GAA (0.58) LMNARECQLGAAALDH1A1TDP1
SCHEMBL12324390 0.78 GAA (0.53) LMNARECQLGAAALDH1A1TDP1
Hydrochloric Acid SCHEMBL8505491 0.78 HDAC3 (0.45) GAAALDH1A1TDP1CA2CA1
SCHEMBL27277330 0.78 LMNA (0.46) LMNARECQLGAAALDH1A1TDP1

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-6114393-A ADMINISTERING A BENZOYLGUANIDINE COMPOUND ANTIPROTOZOA AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-09-05 US claimed
EP-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP claimed
CN-1244322-C Use of inhibitors of sodium-hyfrogen exchanger for production of pharmaceutical for treatment of disorders which are caused by protozoa AVENTIS PHARMA GMBH (DE) 2006-03-08 CN disclosed
US-6114393-A ADMINISTERING A BENZOYLGUANIDINE COMPOUND ANTIPROTOZOA AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-09-05 US disclosed
EP-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP disclosed