SCHEMBL9064735

SCHEMBL9064735

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSP90AA1 P07900 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ELANE P08246 4/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
APP P05067 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL9064545 0.89 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1
SCHEMBL9065090 0.89 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1
SCHEMBL9064745 0.89 ACACB (0.41) LMNAUSP2MAPK1ALOX15HSD17B10
SCHEMBL9064489 0.87 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1
SCHEMBL9064493 0.87 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1
SCHEMBL9064539 0.85 NOTUM (0.43) ALDH1A1CYP2C9CYP2C19LMNAMAPK1
SCHEMBL8427989 0.84 NOTUM (0.41) ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1
SCHEMBL9064658 0.84 NOTUM (0.42) ALDH1A1NPSR1LMNAMAPK1HTT
SCHEMBL9064664 0.84 LMNA (0.43) ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1
SCHEMBL9428115 0.83 NOTUM (0.41) ALDH1A1NPSR1LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4217968-A None JP disclosed
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
JP-H04217968-A IMINOTHIAZOLINE DERIVATIVE, ITS PRODUCTION, HERBICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT AND ITS PRODUCTION INTERMEDIATE SUMITOMO CHEM CO LTD 1992-08-07 JP 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