SCHEMBL9713167

SCHEMBL9713167

COCc1nnc(NC(=O)c2c(OC)cccc2OC)s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.80
KDM4E B2RXH2 5/20 0.80
ABL1 P00519 1/20 0.80
RIN1 Q13671 1/20 0.80
HSD17B10 Q99714 4/20 0.79
TP53 P04637 1/20 0.68
MAPT P10636 1/20 0.67
PPARG P37231 1/20 0.67
NCOA2 Q15596 1/20 0.67
NCOA1 Q15788 1/20 0.67
BRD4 O60885 1/20 0.65
HPGD P15428 3/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.58
ALOX15 P16050 1/20 0.57

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
SCHEMBL9713217 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL11250062 0.85 ALDH1A1 (0.80) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL9712942 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL9712652 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL9713159 0.81 TP53 (1.00) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL9713404 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL11257602 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL11389854 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL11258060 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EABL1RIN1HSD17B10
SCHEMBL11392582 0.79 TP53 (0.67) ALDH1A1KDM4EABL1RIN1HSD17B10

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 7 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
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed