SCHEMBL28299889

SCHEMBL28299889

CC(CC(N)=O)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
DNMT1 P26358 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL28879785 0.86 CYP2C19 (0.43) KIF11CYP2D6CYP1A2DNMT1
SCHEMBL28038221 0.77 KIF11 (0.47) KIF11DNMT1
SCHEMBL934496 0.77 CYP2D6 (0.46) KIF11CYP2D6CYP1A2MAPTKMT2A
SCHEMBL21082672 0.77 KIF11 (0.42) KIF11CYP2D6CYP1A2
SCHEMBL21082671 0.77 KIF11 (0.42) KIF11CYP2D6CYP1A2
SCHEMBL20840078 0.74 KIF11 (0.48) KIF11
SCHEMBL26011540 0.73 ALDH1A1 (0.41) KIF11CYP2D6CYP1A2CHRM2CHRM1
SCHEMBL358276 0.73 KIF11 (0.46) KIF11CYP2D6CYP1A2DNMT1
SCHEMBL11494119 0.73 KIF11 (0.38) KIF11CYP2D6
SCHEMBL18704761 0.72 KIF11 (0.36) KIF11CYP2D6CYP1A2DNMT1

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-105682461-B Pesticidal combination and relative method 美国陶氏益农公司 2019-06-14 CN disclosed