SCHEMBL8098460

SCHEMBL8098460

CC(C)(C)NC(=O)OC1SCN(c2cccc(N)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 1/20 0.35
MAPK14 Q16539 5/20 0.34
DDR2 Q16832 3/20 0.34
MAPK11 Q15759 3/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SRC P12931 2/20 0.33
GRM2 Q14416 1/20 0.32
ADRA2C P18825 1/20 0.32
MAPT P10636 2/20 0.32
MAPK9 P45984 1/20 0.32
ABL1 P00519 1/20 0.32
ABL2 P42684 1/20 0.32
MAPK8 P45983 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL8098702 0.89 ALDH1A1 (0.38) MEN1ALDH1A1ALOX15KMT2A
SCHEMBL8102959 0.89 SMN1; SMN2 (0.38) MAPTKDM4EALDH1A1
SCHEMBL8096915 0.88 ALDH1A1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL8097382 0.88 FAAH (0.32) TP53MEN1ALDH1A1KMT2A
SCHEMBL8105978 0.88 TP53 (0.42) MAPTTP53ALDH1A1
SCHEMBL8099147 0.88 POLB (0.41) NTMT1MAPTTP53MEN1ALDH1A1
SCHEMBL8097540 0.87 POLB (0.36) MAPTTP53ALDH1A1
SCHEMBL8097004 0.87 LMNA (0.44) MAPTMEN1ALDH1A1KMT2A
SCHEMBL2053916 0.86 MEN1 (0.38) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL8105439 0.86 GAA (0.47) GRM2MAPTTP53ALDH1A1ALOX15

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