SCHEMBL9713472

SCHEMBL9713472

CCCCCC(CC)(CC)c1cc(NC(=S)c2c(OCC)cccc2OCC)on1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.36
MAPK14 Q16539 3/20 0.34
CNR2 P34972 5/20 0.33
CNR1 P21554 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 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
SCHEMBL9712776 0.91 CYP1A2 (0.36) TP53TSHRMAPK14CNR2CNR1
SCHEMBL9713027 0.90 PLK1 (0.36) TP53TSHRMAPTMAPK14CNR2
SCHEMBL9713040 0.89 TP53 (0.49) TP53TSHRMAPTMAPK14CNR2
SCHEMBL9712670 0.85 MAPK14 (0.36) TP53TSHRMAPTMAPK14CNR2
SCHEMBL9713007 0.85 KMT2A (0.38) TP53TSHRMAPTSMN1; SMN2
SCHEMBL9713537 0.84 MAPT (0.36) TP53TSHRMAPTMAPK14SMN1; SMN2
SCHEMBL9713420 0.83 CYP1A2 (0.38) TP53MAPTMAPK14SMN1; SMN2RAF1
SCHEMBL9712807 0.80 CYP1A2 (0.47) TP53TSHRMAPTMAPK14SMN1; SMN2
SCHEMBL9713231 0.79 TSHR (0.35) TP53TSHRMAPTNPSR1
SCHEMBL9713661 0.79 ALDH1A1 (0.40) TP53TSHRMAPTMAPK14RET

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