SCHEMBL8428299

SCHEMBL8428299

CC1CN(c2cccc(C(F)(F)F)c2)C(=N)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
NOTUM Q6P988 1/20 0.40
DHFR P00374 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
Hydrochloric Acid SCHEMBL8425578 0.99 MAPT (0.43) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8423762 0.83 ALDH1A1 (0.42) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8424348 0.83 ALDH1A1 (0.42) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8010813 0.83 ALDH1A1 (0.40) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8425507 0.81 NOTUM (0.43) NOTUMDHFR
SCHEMBL9064671 0.81 ALDH1A1 (0.38) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8423627 0.78 ALOX5 (0.45) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8196973 0.77 SMN1; SMN2 (0.39) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8425365 0.77 AR (0.46) NOTUM
SCHEMBL9064539 0.76 NOTUM (0.43) ALDH1A1MAPTNOTUMMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125045-C Process for producing intermecliates used in process for producing-2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 2003-10-22 CN disclosed
CN-1073099-C Process for producing intermecliates used in process for producing 2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 2001-10-17 CN disclosed
EP-0636616-B1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL CO (JP) 1999-10-27 EP disclosed
CN-1228420-A Process for producing intermecliates used in process for producing-2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 1999-09-15 CN disclosed
CN-1225363-A Process for producing intermediate in process for producing 2-iminothiazoline derivative SUMITOMO CHEMICAL CO (JP) 1999-08-11 CN 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-5484933-A Process for production of fluoroalkane carboxamide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-01-16 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
EP-0636616-A1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-01 EP disclosed
US-5360912-A Cyclization of thiourea derivatives by acid treatment SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-01 US 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-0545431-A1 Process of producing iminothiyzoline derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-06-09 EP 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