SCHEMBL8105889

SCHEMBL8105889

CC(C)(C)NC(=O)OC1SCN(c2cc(Cl)cc(Cl)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.35
CYP2D6 P10635 6/20 0.35
KCNH2 Q12809 6/20 0.35
CACNA1I Q9P0X4 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8103924 0.91
SCHEMBL8105911 0.89 KMT2A (0.35) ALDH1A1
SCHEMBL8098702 0.89 ALDH1A1 (0.38) CACNA1HALDH1A1
SCHEMBL8103628 0.86 SLC6A4 (0.37) CYP2D6ALDH1A1
SCHEMBL8105610 0.86 CYP1A2 (0.41) CYP2D6USP2ALDH1A1
SCHEMBL8099316 0.85 TACR1 (0.33)
SCHEMBL8105285 0.84 MAPT (0.37) ALDH1A1
SCHEMBL8097540 0.84 POLB (0.36) USP2ALDH1A1
SCHEMBL8099351 0.83 RECQL (0.38) CYP2D6USP2ALDH1A1
SCHEMBL8097595 0.83 KMT2A (0.37) ALDH1A1

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