SCHEMBL9428115

SCHEMBL9428115

CC1CN(c2cccc(C(F)(F)F)c2)C(=NC(=O)C(C)(C)C)S1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
CNR2 P34972 6/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.38
ACACB O00763 1/20 0.38
CNR1 P21554 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 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 0.92 NOTUM (0.42) NOTUMMAPK1HSD17B10POLBACACB
SCHEMBL9064539 0.89 NOTUM (0.43) NOTUMMAPK1HSD17B10POLBACACB
SCHEMBL9428926 0.87 LMNA (0.37) NOTUMPOLBALDH1A1LMNAHTT
SCHEMBL9064745 0.86 ACACB (0.41) NOTUMMAPK1HSD17B10POLBACACB
SCHEMBL8424243 0.86 NOTUM (0.41) NOTUMCNR2MAPK1HSD17B10POLB
SCHEMBL8427989 0.86 NOTUM (0.41) NOTUMMAPK1HSD17B10POLBACACB
SCHEMBL8425728 0.86 NOTUM (0.41) NOTUMCNR2MAPK1HSD17B10POLB
SCHEMBL8425429 0.85 ACACB (0.41) NOTUMCNR2MAPK1HSD17B10POLB
SCHEMBL8428411 0.84 NOTUM (0.39) NOTUMCNR2MAPK1HSD17B10POLB
SCHEMBL9064735 0.83 ALDH1A1 (0.45) NOTUMCNR2MAPK1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292715-A Iminothiazolines, their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-08 US disclosed
EP-0529481-A1 Iminothiazolines, their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-03 EP disclosed