SCHEMBL8097643

SCHEMBL8097643

CSc1cccc(C2NC(=O)C(OC(=O)NC(C)(C)C)S2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL8097598 0.86 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL8099152 0.85 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHRTP53
SCHEMBL8098673 0.85 ALDH1A1 (0.54) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL8098463 0.85 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHR
SCHEMBL8096918 0.85 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL8097385 0.85 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHR
SCHEMBL8097455 0.84 ALDH1A1 (0.40) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL8097010 0.84 HPGD (0.37) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL8090064 0.83 GUSB (0.43) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL8099202 0.82 L3MBTL1 (0.38) MAPTALDH1A1HPGDTSHRMEN1

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