SCHEMBL7658401

SCHEMBL7658401

CCN=C(SC)N(C)Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
RIPK1 Q13546 1/20 0.51
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.43
CHRNA7 P36544 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7664882 0.90 CHRNB2 (0.48) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7669781 0.86 LMNA (0.50) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7669313 0.86 CHRNB2 (0.46) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7662016 0.86 CHRNB2 (0.54) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL8405284 0.85 CHRNB2 (0.51) CHRNB2CHRNA4RIPK1LMNASMN1; SMN2
SCHEMBL7662172 0.84 CHRNB2 (0.47) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7668724 0.84 SMN1; SMN2 (0.51) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7670904 0.82 LMNA (0.51) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL10482678 0.81 CHRNB2 (0.49) CHRNB2CHRNA4RIPK1LMNANAMPT
SCHEMBL7658397 0.81 CHRNB2 (0.49) 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 10 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