SCHEMBL28214655

SCHEMBL28214655

CC(C)(C)Oc1ccc(CN)cc1-n1ccsc1=N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.33
CYP2A6 P11509 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL28214657 0.80 CSNK2A1 (0.36) CSNK2A1
SCHEMBL28214765 0.68 SLC6A2 (0.31)
SCHEMBL25001978 0.62 CHRNA1 (0.37) CHRNA1CHRNB2CHRNA7CHRNA4
SCHEMBL23749750 0.61 GAA (0.46)
SCHEMBL25001926 0.59 KMT2A (0.43)
SCHEMBL23749749 0.58 ALDH1A1 (0.42)
SCHEMBL23749754 0.58 ALDH1A1 (0.42) CHRNA1CHRNB2CHRNA7CHRNA4
SCHEMBL2369731 0.57 ST14 (0.50)
SCHEMBL28215330 0.57 KDM4E (0.48) CSNK2A1
SCHEMBL27544792 0.57 CSNK2A1 (0.37) CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-05-11 CN disclosed