SCHEMBL9713007

SCHEMBL9713007

CCCC(CCC)(CCCCc1ccccc1)c1cc(NC(=S)c2c(OCC)cccc2OCC)on1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL9713296 0.90 TP53 (0.45) KMT2ATDP1TP53TSHRMAPT
SCHEMBL9713472 0.85 TP53 (0.39) TP53TSHRMAPTSMN1; SMN2
SCHEMBL9713420 0.76 CYP1A2 (0.38) TP53MAPTSMN1; SMN2
SCHEMBL9713165 0.76 MAPT (0.38) MAPK1TP53TSHRMAPTPOLB
SCHEMBL9712776 0.76 CYP1A2 (0.36) TP53TSHRPLK1
SCHEMBL9713027 0.75 PLK1 (0.36) TP53TSHRMAPTPLK1
SCHEMBL9713537 0.75 MAPT (0.36) KMT2ATP53TSHRMAPTPOLB
SCHEMBL9712670 0.74 MAPK14 (0.36) TP53TSHRMAPTSMN1; SMN2
SCHEMBL9713040 0.74 TP53 (0.49) MAPK1TP53TSHRMAPTSMN1; SMN2
SCHEMBL9713231 0.71 TSHR (0.35) TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed