SCHEMBL7764668

SCHEMBL7764668

Cn1c(SC(F)F)n[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7761102 0.77 LMNA (0.36) LMNAMEN1KMT2AMAPTHTT
SCHEMBL16324245 0.73 POLB (0.34) TLR8LMNAL3MBTL1MEN1KMT2A
SCHEMBL9414026 0.69 ALDH1A1 (0.47) LMNAGAAL3MBTL1MEN1KMT2A
SCHEMBL8631252 0.67 NOTUM (0.49) LMNAMEN1KMT2APOLB
SCHEMBL7028070 0.66 HTT (0.39) LMNAMEN1KMT2AMAPTHTT
SCHEMBL7547690 0.65 PDE4A (0.33) LMNAL3MBTL1MEN1KMT2AHTT
SCHEMBL762702 0.63
SCHEMBL6617108 0.60
SCHEMBL17801765 0.59 GLA (0.38) TLR8GAAL3MBTL1KMT2A
SCHEMBL1781531 0.58 ADORA2A (0.34) LMNAGAAMAPT

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-0869948-B1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AG (DE) 2001-06-13 EP disclosed
US-6153761-A AN INTERMEDIATES FOR PREPARING HERBICIDES AND/OR FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-28 US disclosed
US-5994273-A AGRICULTURE BAYER AKTIWNGESELLSCHAFT (DE) 1999-11-30 US disclosed
WO-1996027591-A1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-12 WO disclosed