SCHEMBL8906254

SCHEMBL8906254

Cl/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
CYP3A4 P08684 3/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
GABRA1 P14867 1/20 0.58
HPGD P15428 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
IDO1 P14902 3/20 0.44
ADRA2C P18825 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8761024 1.00 MAPT (0.58) MAPTCYP3A4TSHRALDH1A1CYP1A2
SCHEMBL8761032 1.00 MAPT (0.58) MAPTCYP3A4TSHRALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10505375 0.99 MAPT (0.57) MAPTCYP3A4TSHRALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10505377 0.99 MAPT (0.57) MAPTCYP3A4TSHRALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10505387 0.99 MAPT (0.57) MAPTCYP3A4TSHRALDH1A1CYP1A2
Nitric Acid SCHEMBL10505193 0.91 MAPT (0.50) MAPTCYP3A4TSHRALDH1A1CYP1A2
Nitric Acid SCHEMBL10505184 0.91 MAPT (0.50) MAPTCYP3A4TSHRALDH1A1CYP1A2
Nitric Acid SCHEMBL10505195 0.91 MAPT (0.50) MAPTCYP3A4TSHRALDH1A1CYP1A2
SCHEMBL11247102 0.83 MAPT (0.54) MAPTCYP3A4TSHRALDH1A1CYP1A2
SCHEMBL11247103 0.83 MAPT (0.54) MAPTCYP3A4TSHRALDH1A1CYP1A2

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
EP-0142190-B1 1-(2-ARYL-2-HALO-1-ETHENYL)-1H-AZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-21 EP claimed
US-4539325-A ANTIEPILEPTIC JANSSEN PHARMACEUTICA N.V. (BE) 1985-09-03 US claimed
EP-0142190-A2 1-(2-Aryl-2-halo-1-ethenyl)-1H-azoles JANSSEN PHARMACEUTICA N.V. (BE) 1985-05-22 EP claimed
US-5681755-A SOLUTION COMPRISING METAL IONS, MOLAR EXCESS OF HISTIDINE OR IMIDAZOLE COMPLEXING AGENT, REDUCING AGENT; QUALITATIVE OR QUANTITATIVE DETERMINATION OF COMPONENTS OF AGGREGATE JANSSEN PHARMACEUTICA N.V. (BE) 1997-10-28 US disclosed
US-5498551-A COLORED LATEX PARTICLES JANSSEN PHARMACEUTICA N.V. (BE) 1996-03-12 US disclosed
US-5491098-A Method for depositing metal particles on a marker JANSSEN PHARMACEUTICA N.V. (BE) 1996-02-13 US disclosed
US-5206122-A Aqueous solution of silver ions, desensitizer, reducing agent; immunological detection of antigens JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-27 US disclosed
US-4870060-A SOLUBILIZERS FOR DRUGS JANSSEN PHARMACEUTICA (BE) 1989-09-26 US disclosed
EP-0142190-B1 1-(2-ARYL-2-HALO-1-ETHENYL)-1H-AZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-21 EP disclosed
US-4837168-A QUALITATIVE, QUANTITATIVE ANALYSIS; VISUAL DETERMINATION JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-06 US disclosed
US-4764604-A Derivatives of gamma-cyclodextrin JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-16 US disclosed
EP-0197571-A2 Novel derivatives of gamma-cyclodextrin JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-15 EP disclosed
US-4539325-A ANTIEPILEPTIC JANSSEN PHARMACEUTICA N.V. (BE) 1985-09-03 US disclosed
EP-0142190-A2 1-(2-Aryl-2-halo-1-ethenyl)-1H-azoles JANSSEN PHARMACEUTICA N.V. (BE) 1985-05-22 EP disclosed