SCHEMBL9713404

SCHEMBL9713404

COc1cccc(OC)c1C(=O)Nc1nnc(CC2CCCCC2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 3/20 0.69
HSD17B10 Q99714 3/20 0.69
ABL1 P00519 1/20 0.64
RIN1 Q13671 1/20 0.64
TP53 P04637 3/20 0.60
MAPT P10636 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
DGAT1 O75907 1/20 0.52
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GLS O94925 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL9713069 0.82 TP53 (0.55) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713059 0.82 TP53 (0.62) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712780 0.82 TP53 (0.62) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL11250062 0.81 ALDH1A1 (0.80) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713167 0.81 ALDH1A1 (0.80) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712949 0.81 TP53 (0.64) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713217 0.79 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713232 0.78 TP53 (0.58) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713978 0.78 TP53 (0.64) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712942 0.78 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10ABL1RIN1

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 8 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
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed