SCHEMBL9712920

SCHEMBL9712920

COc1cccc(OC)c1C(=O)Nc1nnc(C2(C)CC2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 2/20 0.61
MAPT P10636 3/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
ABL1 P00519 1/20 0.57
RIN1 Q13671 1/20 0.57
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9713565 0.95 TP53 (0.62) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713072 0.95 TP53 (0.62) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712856 0.94 TP53 (0.61) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713253 0.87 ALDH1A1 (0.52) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712908 0.85 TP53 (0.46) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712975 0.85 TP53 (0.61) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713169 0.84 TP53 (0.60) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713248 0.83 ALDH1A1 (0.61) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713417 0.82 ALDH1A1 (0.60) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713019 0.82 ALDH1A1 (0.60) TP53KDM4EALDH1A1HSD17B10MAPT

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 10 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
EP-0238145-B1 SYNERGISTIC HERBICIDAL COMPOSITIONS AND METHODS OF USE. STAUFFER CHEMICAL COMPANY (US) 1989-07-19 EP disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
EP-0238145-A1 Synergistic herbicidal compositions and methods of use. STAUFFER CHEMICAL COMPANY (US) 1987-09-23 EP 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