SCHEMBL11060593

SCHEMBL11060593

CC1=CCc2ccccc2C1=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTR6 P50406 1/20 0.36
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
LTK P29376 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 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
SCHEMBL308273 0.82 HTR6 (0.40) SMN1; SMN2NPC1MAPTRAB9ANFKB1
SCHEMBL27596873 0.80 HTR6 (0.39) SMN1; SMN2NPC1MAPTRAB9ANFKB1
Lithium SCHEMBL3684629 0.80 HTR6 (0.39) SMN1; SMN2NPC1MAPTRAB9ANFKB1
SCHEMBL3684627 0.80 HTR6 (0.39) SMN1; SMN2NPC1MAPTRAB9ANFKB1
SCHEMBL476571 0.75 HTR6 (0.36) SMN1; SMN2HTR6CHEK1DAPK3LTK
SCHEMBL7549356 0.75 HTR6 (0.36) HTR6LMNACA1CA2CES1
SCHEMBL28209545 0.75 HTR6 (0.36) HTR6CA1CA2CES1MAOA
SCHEMBL396140 0.75 MAOA (0.50) SMN1; SMN2NPC1MAPTRAB9ANFKB1
SCHEMBL9798521 0.72 DCUN1D1 (0.30) DCUN1D1
SCHEMBL9254888 0.69 SRD5A2 (0.38) SMN1; SMN2RAB9AHTR6LMNAHSD17B10

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-4477380-A Oxidation process of reactive aromatics with reactivation of the catalyst using potassium permanganate RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1984-10-16 US disclosed
US-4071405-A BETA- OR GAMMA-AMINO ACIDS, METHIONINASE AJINOMOTO CO., INC. (JA) 1978-01-31 US disclosed