SCHEMBL9064671

SCHEMBL9064671

CC(Br)C1CN(c2cccc(C(F)(F)F)c2)C(=N)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NOTUM Q6P988 1/20 0.37
DHFR P00374 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASR P41180 2/20 0.36
ACACB O00763 1/20 0.36
CHRM2 P08172 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
SCHEMBL8424348 0.81 ALDH1A1 (0.42) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8428299 0.81 ALDH1A1 (0.42) ALDH1A1HTR3EHTR3BHTR1DHTR2C
Hydrochloric Acid SCHEMBL8425578 0.80 MAPT (0.43) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8423762 0.78 ALDH1A1 (0.42) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL8010813 0.78 ALDH1A1 (0.40) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL9064706 0.76 ACACB (0.40) ALDH1A1NOTUMMAPTACACB
SCHEMBL9064710 0.76 ACACB (0.40) ALDH1A1NOTUMMAPTACACB
SCHEMBL14369671 0.70 ALDH1A1 (0.47) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL9064173 0.68 ALOX5 (0.50) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL11179007 0.68 ALDH1A1 (0.44) ALDH1A1HTR3EHTR3BHTR1DHTR2C

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