SCHEMBL7670524

SCHEMBL7670524

CNC(=O)N(C)SCCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
TBXAS1 P24557 8/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RIPK1 Q13546 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11528821 0.82 KMT2A (0.42) KMT2A
SCHEMBL7669795 0.74 CHRNB2 (0.44) TBXAS1CHRNB2CHRNA4PKMKMT2A
SCHEMBL7667027 0.74 KMT2A (0.49) CHRNB2CHRNA4PKMKMT2ANAPRT
SCHEMBL7667098 0.74 MKNK1 (0.41) PKMKMT2ACYP1A2CYP3A4L3MBTL1
SCHEMBL10154019 0.73 CYP1A2 (0.61) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL8406145 0.73 PTGES (0.47) TBXAS1CHRNB2CHRNA4PKMKMT2A
SCHEMBL7669389 0.72 PKM (0.41) CHRNA7TBXAS1CHRNB2CHRNA4PKM
SCHEMBL7667117 0.72 ALDH1A1 (0.41) KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL13853784 0.71 FES (0.56) TBXAS1PKMKMT2ARECQLCYP1A2
SCHEMBL27627257 0.70 CHRNA7 (0.57) CHRNA7TBXAS1CHRNB2CHRNA4NAPRT

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 9 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
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