SCHEMBL9065202

SCHEMBL9065202

C=C1CN(c2cccc(C(F)(F)F)c2)/C(=N/C(=O)NCC)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ACACB O00763 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 4/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9065205 1.00 LMNA (0.43) LMNAACACBNPSR1SMN1; SMN2HTT
SCHEMBL9065120 0.84 ALDH1A1 (0.45) LMNANPSR1SMN1; SMN2HTTPPARG
SCHEMBL9065078 0.84 ALDH1A1 (0.45) LMNANPSR1SMN1; SMN2HTTPPARG
SCHEMBL9064664 0.80 LMNA (0.43) LMNAACACBNPSR1SMN1; SMN2HTT
SCHEMBL9064480 0.78 ALDH1A1 (0.38) LMNAHTTPPARGPPARDPPARA
SCHEMBL9064479 0.78 ALDH1A1 (0.38) LMNAHTTPPARGPPARDPPARA
SCHEMBL2865756 0.71 ATM (0.36) PPARGPPARDPPARA
SCHEMBL9064662 0.71 LMNA (0.43) LMNAACACBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL9064794 0.71 LMNA (0.45) LMNAACACBNPSR1SMN1; SMN2HTT
SCHEMBL8829652 0.70 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TP53KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508415-A HAVING STRONG HERBICIDAL POTENCY, NOTICEABLE SELECTIVITY BETWEEN CROP PLANTS AND WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-16 US disclosed
US-5426188-A Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-20 US disclosed
EP-0446802-B1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1995-06-07 EP disclosed
US-5244863-A Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-14 US disclosed
EP-0446802-A1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed