SCHEMBL9623769

SCHEMBL9623769

CN(CCCCc1cccs1)CCCN1Cc2cc3c(cc2C1=O)OCO3

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.34
POLB P06746 1/20 0.34
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
SLC6A9 P48067 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
SCHEMBL9624675 0.99 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9ATRPM8POLB
SCHEMBL9624353 0.97 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ATRPM8POLB
SCHEMBL9624619 0.95 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATRPM8POLB
SCHEMBL9623637 0.88 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATRPM8CLK1
SCHEMBL9624441 0.87 L3MBTL1 (0.37) SMN1; SMN2POLB
SCHEMBL9625089 0.86 HDAC6 (0.37) SMN1; SMN2POLB
SCHEMBL9625192 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATRPM8CLK1
SCHEMBL9624947 0.84 HCN4 (0.43)
SCHEMBL9624134 0.84 L3MBTL1 (0.38) SMN1; SMN2POLB
SCHEMBL9624677 0.83 NAAA (0.35) RAB9A

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 2 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