SCHEMBL8105911

SCHEMBL8105911

CC(C)(C)NC(=O)OC1SCN(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 5/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.34
ALOX12 P18054 1/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NTMT1 Q9BV86 1/20 0.33
MDM2 Q00987 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR2 P34972 1/20 0.33
LIPE Q05469 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL8097595 0.89 KMT2A (0.37) KMT2ACASP3SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8105889 0.89 CACNA1H (0.35) ALDH1A1
SCHEMBL8097540 0.88 POLB (0.36) TP53POLBCASP3SMN1; SMN2ALDH1A1
SCHEMBL8103628 0.87 SLC6A4 (0.37) KMT2ACASP3SMN1; SMN2ALDH1A1MAPT
SCHEMBL8098702 0.87 ALDH1A1 (0.38) KMT2ACASP3ALDH1A1HSD17B10HDAC1
SCHEMBL8097453 0.87 LMNA (0.41) KMT2ATP53LMNAPOLBCASP3
SCHEMBL8105610 0.87 CYP1A2 (0.41) KMT2ALMNAPOLBALOX12SMN1; SMN2
SCHEMBL8105285 0.85 MAPT (0.37) KMT2APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL8103924 0.85
SCHEMBL8098695 0.84 MAPT (0.41) KMT2ALMNAALDH1A1MAPTCNR2

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