SCHEMBL9713574

SCHEMBL9713574

CCOc1cccc(OCC)c1C(=O)Nc1nnc(C(CC)(CC)CSC)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 1/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 4/20 0.44
PPARG P37231 2/20 0.43
NCOA2 Q15596 2/20 0.43
NCOA1 Q15788 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL9712733 0.91 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL11184965 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713228 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713360 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL11105736 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712622 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712906 0.78 TP53 (0.60) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712825 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713430 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712768 0.77 ALDH1A1 (0.44) 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