SCHEMBL9064173

SCHEMBL9064173

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2C P28335 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.45
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL14369671 0.84 ALDH1A1 (0.47) ALOX5PTGS1PTGS2ALDH1A1HTR3E
SCHEMBL25002906 0.76 MEN1 (0.45) ALDH1A1DRD2DRD3KCNH2CYP3A4
SCHEMBL10386947 0.75 SIGMAR1 (0.54) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL25001896 0.74 ADRB1 (0.46) ALOX5ALDH1A1MAPTKDM4EDRD2
SCHEMBL8099439 0.74 MEN1 (0.47) ALOX5PTGS1PTGS2ALDH1A1HTR3E
Hydrochloric Acid SCHEMBL10803754 0.74 ALDH1A1 (0.50) ALOX5PTGS1PTGS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10800279 0.74 ALDH1A1 (0.50) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL8829652 0.74 ALDH1A1 (0.47) ALOX5PTGS1PTGS2ALDH1A1HTR3E
Bromide SCHEMBL10800477 0.73 SIGMAR1 (0.52) ALDH1A1SIGMAR1MAPT
SCHEMBL8424348 0.72 ALDH1A1 (0.42) ALOX5PTGS1PTGS2ALDH1A1HTR3E

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