SCHEMBL9624441

SCHEMBL9624441

Cc1cc2c(cc1C)C(=O)N(CCCN(C)CCCCc1cccs1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KMT2A Q03164 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
SCHEMBL9625089 0.99 HDAC6 (0.37) L3MBTL1LMNAALDH1A1POLBHDAC6
SCHEMBL9624134 0.97 L3MBTL1 (0.38) L3MBTL1LMNAALDH1A1POLBHDAC6
SCHEMBL9625527 0.95 L3MBTL1 (0.38) L3MBTL1LMNAALDH1A1POLBHDAC6
SCHEMBL9624779 0.88 LMNA (0.39) L3MBTL1LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL9624947 0.87 HCN4 (0.43) ALDH1A1
SCHEMBL9623769 0.87 SMN1; SMN2 (0.39) POLBSMN1; SMN2
SCHEMBL9624808 0.86 MAPT (0.43) ALDH1A1
SCHEMBL9624675 0.86 SMN1; SMN2 (0.38) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL9624493 0.86 ALOX15 (0.44) ALDH1A1
SCHEMBL9624961 0.84 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