SCHEMBL9713461

SCHEMBL9713461

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 5/20 0.61
HSD17B10 Q99714 2/20 0.61
ABL1 P00519 1/20 0.59
RIN1 Q13671 1/20 0.59
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 2/20 0.55
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
OPRK1 P41145 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9713333 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712652 0.80 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713217 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL11105736 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713574 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL11184965 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713253 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL11250062 0.73 ALDH1A1 (0.80) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713543 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713264 0.73 ALDH1A1 (0.49) 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