SCHEMBL8090426

SCHEMBL8090426

O=C(NC(c1ccccc1)c1ccccc1)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
S1PR3 Q99500 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A9 P48067 1/20 0.38
ACACB O00763 2/20 0.38
NOTUM Q6P988 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL8107067 0.91 ACACB (0.47) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL8099572 0.91 ACACB (0.47) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL8104045 0.87 NPSR1 (0.46) LMNATP53MEN1KMT2AMAPT
SCHEMBL8098502 0.85 LMNA (0.48) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL8090122 0.84 MEN1 (0.39) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL8099315 0.83 NOTUM (0.40) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL8097554 0.83 POLB (0.49) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL2053916 0.82 MEN1 (0.38) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL8090603 0.81 LMNA (0.43) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL8106103 0.80 LMNA (0.48) LMNAALDH1A1HTTMAPTSMN1; SMN2

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