SCHEMBL8097598

SCHEMBL8097598

Cc1cccc(C2NC(=O)C(OC(=O)NC(C)(C)C)S2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 2/20 0.35
OPRK1 P41145 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HDAC4 P56524 1/20 0.33
GAA P10253 4/20 0.33
ATM Q13315 1/20 0.33
CCKBR P32239 4/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
PBRM1 Q86U86 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 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
SCHEMBL8097385 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096918 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL8099152 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRCYP2C19
SCHEMBL8098673 0.88 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTSHRCYP2C19
SCHEMBL8098463 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097010 0.87 HPGD (0.37) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL8097455 0.87 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTSHRCYP2C19
SCHEMBL8090064 0.86 GUSB (0.43) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL8097643 0.86 MAPT (0.36) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL8099202 0.85 L3MBTL1 (0.38) ALDH1A1MAPTHPGDTSHRKMT2A

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