SCHEMBL9625527

SCHEMBL9625527

Cc1cc2c(cc1C)C(=O)N(CCCN(C)CCc1cccs1)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.34
HCN4 Q9Y3Q4 1/20 0.34
SMPD1 P17405 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9624134 0.96 L3MBTL1 (0.38) L3MBTL1LMNAALDH1A1POLBHDAC6
SCHEMBL9624441 0.95 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1POLBHDAC6
SCHEMBL9625089 0.94 HDAC6 (0.37) L3MBTL1LMNAALDH1A1POLBHDAC6
SCHEMBL9625079 0.87 LMNA (0.39) L3MBTL1LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL9624619 0.87 SMN1; SMN2 (0.37) POLBSMN1; SMN2
SCHEMBL9624246 0.87 HCN4 (0.46) ALDH1A1MAPTHCN4SMPD1MAOB
Hydrochloric Acid SCHEMBL9624740 0.86 ALOX15 (0.47) ALDH1A1MAPTHCN4SMPD1MAOB
SCHEMBL9624768 0.86 SMN1; SMN2 (0.49) ALDH1A1POLBHDAC6SMN1; SMN2SMPD1
SCHEMBL9624873 0.84 HDAC6 (0.35) ALDH1A1HDAC6MAPTHCN4SMPD1
SCHEMBL9624961 0.83 LMNA (0.39) L3MBTL1LMNAALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 EP disclosed