SCHEMBL8090122

SCHEMBL8090122

CNC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2053916 0.89 MEN1 (0.38) MEN1KMT2ANPC1TP53MAPT
SCHEMBL8090603 0.89 LMNA (0.43) MEN1KMT2APOLBALDH1A1USP2
SCHEMBL8104045 0.89 NPSR1 (0.46) MEN1KMT2ANPC1TP53MAPT
SCHEMBL8099403 0.87 MEN1 (0.38) MEN1KMT2ANPC1TP53MAPT
SCHEMBL8099315 0.87 NOTUM (0.40) MEN1KMT2ATP53MAPTTSHR
SCHEMBL8098502 0.86 LMNA (0.48) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL8097543 0.86 ALDH1A1 (0.39) MEN1KMT2AMAPTSMN1; SMN2CA12
SCHEMBL8106103 0.85 LMNA (0.48) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL8105435 0.85 RAB9A (0.37) MEN1KMT2ANPC1TP53MAPT
SCHEMBL8097661 0.85 ANO1 (0.38) MEN1KMT2ANPC1TP53MAPT

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