SCHEMBL9064591

SCHEMBL9064591

CCOC(=O)N=C1SCCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.44
APP P05067 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 5/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9064588 1.00 ALDH1A1 (0.48) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL9064699 0.90 ALDH1A1 (0.41) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL9064703 0.90 ALDH1A1 (0.41) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL25001974 0.84 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL30168295 0.84 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL9064735 0.81 ALDH1A1 (0.45) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL9065078 0.81 ALDH1A1 (0.45) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL9065120 0.81 ALDH1A1 (0.45) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL9065090 0.81 ALDH1A1 (0.44) ALDH1A1MAPTAPPADORA1CYP1A2
SCHEMBL9064545 0.81 ALDH1A1 (0.44) ALDH1A1MAPTAPPADORA1CYP1A2

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