SCHEMBL7662016

SCHEMBL7662016

CN=C(SC)N(C)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
RIPK1 Q13546 1/20 0.50
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.44
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
CLK1 P49759 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
SCHEMBL7658401 0.86 CHRNB2 (0.53) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7670729 0.86 CHRNA7 (0.56) CHRNB2CHRNA4NAMPTSMN1; SMN2HTT
SCHEMBL7670904 0.85 LMNA (0.51) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7669781 0.83 LMNA (0.50) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL10482678 0.83 CHRNB2 (0.49) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7668729 0.83 KMT2A (0.48) CHRNB2CHRNA4LMNASMN1; SMN2HTT
SCHEMBL7670648 0.83 CHRNB2 (0.53) CHRNB2CHRNA4RIPK1LMNASMN1; SMN2
SCHEMBL27287571 0.82 CHRNB2 (0.57) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7670900 0.82 CHRNB2 (0.46) CHRNB2CHRNA4RIPK1LMNASMN1; SMN2
SCHEMBL7670906 0.82 CHRNB2 (0.46) CHRNB2CHRNA4RIPK1LMNASMN1; 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