SCHEMBL7764259

SCHEMBL7764259

CNC(=S)Nc1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.49
KCNQ2 O43526 9/20 0.49
KCNE1 P15382 6/20 0.49
KCNQ1 P51787 6/20 0.49
BACE1 P56817 1/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6811392 0.83 MAPT (0.56) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL28603489 0.79 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14433806 0.79 MAOB (0.63) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2396561 0.78 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL11277333 0.75 MAPT (0.64) MAPTCYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL6811387 0.74 TDP1 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL29761860 0.74
SCHEMBL758971 0.74
SCHEMBL13076353 0.74 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5629234 0.74 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665222-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 EP disclosed
US-5633375-A NONTOXIC TO HUMNAS, ANIMALS, FISH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-27 US disclosed
US-5489603-A CONTAINING NITROGEN HETEROCYCLIC RINGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
EP-0493369-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-11-08 EP disclosed
EP-0665222-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1995-08-02 EP disclosed
EP-0493369-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP disclosed
US-5034404-A Nitroguanidines as insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-23 US disclosed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed