SCHEMBL3793757

SCHEMBL3793757

CC(=O)c1cccc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC4 P56524 1/20 0.42
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL1476003 0.82 CYP2A6 (0.48) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL1476821 0.81 CYP2A6 (0.47) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL6234107 0.81 CYP2A6 (0.47) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL2084218 0.80 TSHR (0.46) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL6327434 0.80 CYP2A6 (0.43) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL22951423 0.80 CYP2A6 (0.43) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL5799568 0.80 PLK1 (0.54) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL22951424 0.80 CYP2A6 (0.43) CYP2A6HDAC1HDAC8HDAC6HDAC4
Hydrochloric Acid SCHEMBL27610019 0.79 CYP2A6 (0.46) CYP2A6HDAC1HDAC8HDAC6HDAC4
SCHEMBL6329409 0.78 CYP2A6 (0.41) CYP2A6HDAC1HDAC8HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
WO-2019148850-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed