SCHEMBL8089669

SCHEMBL8089669

O=C1NC(c2cccc(OC(F)(F)F)c2)SC1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DAO P14920 1/20 0.39
ADCYAP1R1 P41586 1/20 0.39
XDH P47989 1/20 0.36
KIF11 P52732 1/20 0.36
MGLL Q99685 2/20 0.36
GRIN2B Q13224 1/20 0.36
ROCK2 O75116 1/20 0.34
CES1 P23141 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MPI P34949 1/20 0.34

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
SCHEMBL8097095 0.90 PIM1 (0.41) ALDH1A1MAPTHPGDTSHRPIM1
SCHEMBL8103664 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTSHRABCC9
SCHEMBL8097219 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096948 0.81 PBRM1 (0.46) ALDH1A1MAPTHPGDTSHRPIM1
SCHEMBL8097655 0.77 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTSHR
SCHEMBL8099305 0.76 GFER (0.49) ABCC9ABCC8KCNJ11KCNJ8PIM1
SCHEMBL8089623 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRMGLL
SCHEMBL8090577 0.74 PIM1 (0.41) ALDH1A1MAPTHPGDTSHRPIM1
SCHEMBL8089988 0.74 MAPT (0.45) ALDH1A1MAPTHPGDTSHRMPI
SCHEMBL8103590 0.74 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed