SCHEMBL8098702

SCHEMBL8098702

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CASP3 P42574 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.34
CACNA1H O95180 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
SCHEMBL8098460 0.89 NTMT1 (0.35) ALDH1A1KMT2AMEN1ALOX15
SCHEMBL8102959 0.89 SMN1; SMN2 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL8105889 0.89 CACNA1H (0.35) ALDH1A1CACNA1H
SCHEMBL8097382 0.88 FAAH (0.32) ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8099147 0.88 POLB (0.41) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL8096915 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL8105978 0.88 TP53 (0.42) ALDH1A1MAPK1
SCHEMBL8105911 0.87 KMT2A (0.35) ALDH1A1CASP3KMT2AMEN1HDAC1
SCHEMBL8097540 0.87 POLB (0.36) ALDH1A1CASP3HDAC8HDAC6HPGD
SCHEMBL8097004 0.87 LMNA (0.44) ALDH1A1KMT2AMEN1RAB9A

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