SCHEMBL9712862

SCHEMBL9712862

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.81
TP53 P04637 2/20 0.67
KDM4E B2RXH2 4/20 0.62
HSD17B10 Q99714 3/20 0.62
MAPT P10636 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
NPC1 O15118 8/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
G6PD P11413 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9713599 0.90 ALDH1A1 (1.00) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL9712712 0.88 ALDH1A1 (0.74) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL11105323 0.87 ALDH1A1 (0.73) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL9712738 0.85 ALDH1A1 (0.78) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL9713177 0.83 ALDH1A1 (0.74) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL11096163 0.81 ALDH1A1 (0.70) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL9712990 0.81 ALDH1A1 (0.67) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL9713159 0.80 TP53 (1.00) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL11242366 0.80 ALDH1A1 (0.69) ALDH1A1TP53KDM4EHSD17B10MAPT
SCHEMBL9713727 0.79 ALDH1A1 (0.64) ALDH1A1TP53KDM4EHSD17B10MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US claimed
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