SCHEMBL7670729

SCHEMBL7670729

CN=C(SC)N(C)CCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.56
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TBXAS1 P24557 5/20 0.41
NAMPT P43490 1/20 0.40
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL7662016 0.86 CHRNB2 (0.54) CHRNA7CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL7670727 0.76 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL7669732 0.76 CHRNB2 (0.47) CHRNA7CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL7669729 0.76 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL7670648 0.75 CHRNB2 (0.53) CHRNB2CHRNA4HTTSMN1; SMN2TDP1
SCHEMBL7668729 0.75 KMT2A (0.48) CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL15095828 0.75 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4TDP1L3MBTL1
SCHEMBL7670906 0.74 CHRNB2 (0.46) CHRNA7CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL7670900 0.74 CHRNB2 (0.46) CHRNA7CHRNB2CHRNA4HTTSMN1; SMN2
SCHEMBL10518385 0.74 TDP1 (0.48) CHRNA7CHRNB2CHRNA4HTTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed