SCHEMBL8396604

SCHEMBL8396604

CCCCC(=O)Nc1ccc(C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC3 O15379 9/20 0.55
HDAC1 Q13547 9/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC10 Q969S8 5/20 0.55
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
KMT2A Q03164 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
CETP P11597 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL11043074 0.91 L3MBTL1 (0.52) GAAL3MBTL1TDP1HDAC3HDAC1
SCHEMBL3227555 0.84 HDAC1 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC4
SCHEMBL10970214 0.84 L3MBTL1 (0.55) L3MBTL1TDP1HDAC3HDAC1HDAC2
SCHEMBL27757715 0.84 HDAC1 (0.62) HDAC3HDAC1HDAC2NCOR2POLB
SCHEMBL7569415 0.82 KDM4E (0.60) GAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL7522106 0.82 GAA (0.67) GAAL3MBTL1TDP1HDAC3HDAC1
SCHEMBL22722430 0.82 POLB (0.61) GAAL3MBTL1TDP1HDAC3HDAC1
SCHEMBL14984048 0.80 GAA (0.72) GAAL3MBTL1TDP1HDAC3HDAC1
SCHEMBL1237373 0.80 GAA (0.72) GAAL3MBTL1TDP1HDAC3HDAC1
SCHEMBL27736940 0.80 HDAC3 (0.78) L3MBTL1HDAC3HDAC1HDAC2HDAC10

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed