SCHEMBL9712700

SCHEMBL9712700

COc1cccc(OC)c1C(=O)Nc1nnc(C(C)(C)CC(C)C)s1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
TP53 P04637 2/20 0.60
KDM4E B2RXH2 6/20 0.60
HSD17B10 Q99714 5/20 0.60
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
MAPT P10636 1/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
TSHR P16473 3/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL9712773 0.88 ALDH1A1 (0.59) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9712941 0.87 ALDH1A1 (0.67) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9712699 0.86 TP53 (0.62) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9713061 0.86 TP53 (0.62) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9713050 0.85 ALDH1A1 (0.64) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9712990 0.85 ALDH1A1 (0.67) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9713321 0.85 TP53 (0.70) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9712906 0.84 TP53 (0.60) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9712878 0.83 TP53 (0.59) ALDH1A1TP53KDM4EHSD17B10ABL1
SCHEMBL9713627 0.83 TP53 (0.59) ALDH1A1TP53KDM4EHSD17B10ABL1

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