SCHEMBL9064664

SCHEMBL9064664

CCNC(=O)N=C1SC(C)CN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ACACB O00763 2/20 0.43
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 4/20 0.37
ELANE P08246 2/20 0.37
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9064658 0.86 NOTUM (0.42) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL9064539 0.85 NOTUM (0.43) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL9064745 0.84 ACACB (0.41) LMNAACACBNOTUMTP53SMN1; SMN2
SCHEMBL8427989 0.84 NOTUM (0.41) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL9064735 0.84 ALDH1A1 (0.45) LMNANOTUMALDH1A1TP53SMN1; SMN2
SCHEMBL9428115 0.83 NOTUM (0.41) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL8424243 0.82 NOTUM (0.41) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL8425728 0.82 NOTUM (0.41) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL8425429 0.81 ACACB (0.41) LMNAACACBNOTUMALDH1A1POLB
SCHEMBL8428411 0.80 NOTUM (0.39) LMNAACACBNOTUMALDH1A1POLB

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