SCHEMBL9712936

SCHEMBL9712936

CCCCC(CC)c1nnc(NC(=O)c2c(OC)cccc2OC)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
KDM4E B2RXH2 4/20 0.64
HSD17B10 Q99714 3/20 0.60
TP53 P04637 1/20 0.58
ABL1 P00519 1/20 0.56
RIN1 Q13671 1/20 0.56
MAPT P10636 2/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
MIF P14174 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 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
SCHEMBL9713102 0.96 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL11242366 0.94 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL11096163 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713177 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712658 0.83 KDM4E (0.49) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712738 0.83 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL11161214 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712712 0.81 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL11257467 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713599 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TP53ABL1

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-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US claimed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 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