SCHEMBL8401947

SCHEMBL8401947

COC(CN(Cc1cccnc1)C(=O)N(C)S)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
LMNA P02545 1/20 0.44
RIPK1 Q13546 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CLK1 P49759 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
RECQL P46063 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
SCHEMBL8065479 0.82 SMN1; SMN2 (0.48) CHRNB2CHRNA4LMNARIPK1TRPM8
SCHEMBL7665506 0.77 KDM4E (0.49) CHRNB2CHRNA4KMT2AMEN1ALDH1A1
SCHEMBL7668225 0.75 CHRNB2 (0.43) CHRNB2CHRNA4LMNATRPM8KMT2A
SCHEMBL2186007 0.73 CHRNB2 (0.54) CHRNB2CHRNA4LMNARIPK1TRPM8
SCHEMBL8066296 0.72 ALDH1A1 (0.39) CHRNB2CHRNA4LMNAKMT2AMEN1
SCHEMBL2187051 0.71 KDM4E (0.61) CHRNB2CHRNA4LMNARIPK1TRPM8
SCHEMBL8066367 0.69 RIPK1 (0.53) CHRNB2CHRNA4LMNARIPK1KMT2A
SCHEMBL12277668 0.69 RIPK1 (0.59) CHRNB2CHRNA4LMNARIPK1KMT2A
SCHEMBL28710701 0.68 NAPRT (0.54) KMT2AMEN1SMN1; SMN2PKMGAA
SCHEMBL29438510 0.68 NAPRT (0.54) KMT2AMEN1SMN1; SMN2PKMGAA

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
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed