SCHEMBL6988136

SCHEMBL6988136

CNC(=S)[C@@H](C)Oc1ccc(Br)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
FDFT1 P37268 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL6988139 1.00 LMNA (0.33) LMNATDP1CHRNB2CHRNA4FDFT1
SCHEMBL7138060 0.82 LMNA (0.48) LMNATDP1FDFT1
SCHEMBL7134405 0.82 MEN1 (0.36) CHRNB2CHRNA4
SCHEMBL6985718 0.82 ALDH1A1 (0.35) CHRNB2CHRNA4KDM4E
SCHEMBL21095850 0.76 TDP1 (0.51) LMNATDP1KDM4EMMP2MMP9
SCHEMBL17273947 0.76 TDP1 (0.51) LMNATDP1KDM4EMMP2MMP9
SCHEMBL708825 0.75 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL29601182 0.75 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL24002863 0.72 CHRNB2 (0.38) CHRNB2CHRNA4FDFT1MMP2MMP9
SCHEMBL12923995 0.69 CHRNB2 (0.39) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313704-A2 COMPOUNDS USEFUL AS INSECTICIDES, COMPOUNDS USEFUL AS ACARICIDES, AND PROCESSES TO USE AND MAKE SAME Dow AgroSciences LLC (US) 2003-05-28 EP disclosed
WO-2002018339-A2 COMPOUNDS USEFUL AS INSECTICIDES, COMPOUNDS USEFUL AS ACARICIDES, AND PROCESSES TO USE AND MAKE SAME DOW AGROSCIENCES LLC (US) 2002-03-07 WO disclosed