SCHEMBL8790146

SCHEMBL8790146

[NH]CS(=O)(=O)CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.62
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL8788953 0.88 CA2 (0.60) CA2KDM4EALDH1A1TSHR
SCHEMBL777369 0.87 CA2 (0.71) CA2POLBKDM4EALDH1A1HDAC3
SCHEMBL8790223 0.86 CA2 (0.61) CA2POLBKDM4EALDH1A1HDAC3
SCHEMBL15686580 0.82 CA2 (0.65) CA2POLBKDM4EALDH1A1HDAC3
SCHEMBL10899010 0.81 CA2 (0.63) CA2POLBALDH1A1MEN1KMT2A
SCHEMBL27985650 0.79 CA2 (0.67) CA2POLBMEN1KMT2ASIGMAR1
SCHEMBL5700135 0.79 CA2 (0.56) CA2POLBKDM4EALDH1A1HDAC3
SCHEMBL2031618 0.77 CA2 (0.58) CA2POLBKDM4EALDH1A1HDAC3
SCHEMBL2356080 0.75 CA2 (0.56) CA2POLBKDM4EALDH1A1HDAC3
SCHEMBL10995947 0.75 HDAC1 (0.63) CA2POLBKDM4EALDH1A1HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed