SCHEMBL7102074

SCHEMBL7102074

C=CCc1ccccc1SOSc1ccccc1CC=C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
AKR1B1 P15121 1/20 0.36
HTR1A P08908 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
LMNA P02545 2/20 0.34
ADRB3 P13945 1/20 0.34
SLC6A2 P23975 1/20 0.34
BDKRB2 P30411 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5467662 0.81 APOBEC3G (0.52) GABRA1GABRB2ALDH1A1KDM4EAKR1B1
SCHEMBL2475358 0.81 GABRA1 (0.45) GABRA1GABRB2ALDH1A1KDM4EAKR1B1
SCHEMBL9209214 0.78 CHRM2 (0.44) GABRA1GABRB2ALDH1A1HTR1AADRA2C
SCHEMBL916247 0.78 GABRA1 (0.42) GABRA1GABRB2ALDH1A1KDM4EAKR1B1
SCHEMBL9285923 0.76 GABRA1 (0.41) GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL173300 0.75 GABRA1 (0.56) GABRA1GABRB2ALDH1A1KDM4EAKR1B1
SCHEMBL29763626 0.75 GABRA1 (0.56) GABRA1GABRB2ALDH1A1KDM4EAKR1B1
SCHEMBL7197145 0.74 SMN1; SMN2 (0.49) GABRA1GABRB2HTR1ALMNASLC6A2
SCHEMBL21417709 0.73 SLC6A2 (0.40) GABRA1GABRB2ALDH1A1LMNASLC6A2
SCHEMBL10528834 0.73 GABRA1 (0.54) GABRA1GABRB2ALDH1A1KDM4EAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809647-B1 CHIRAL ORGANOMETALLIC COMPOUNDS AVECIA LTD (GB) 2003-09-10 EP disclosed
US-5929266-A ZIRCONIUM, HAFNIUM, TITANIUM CYCLOPENTADIENE COMPOUNDS USEFUL IN ASYMMETRIC SYNTHESIS ZENECA LIMITED (GB) 1999-07-27 US disclosed
EP-0809647-A1 CHIRAL ORGANOMETALLIC COMPOUNDS ZENECA LIMITED (GB) 1997-12-03 EP disclosed
WO-1996025420-A1 CHIRAL ORGANOMETALLIC COMPOUNDS ZENECA LIMITED (GB) 1996-08-22 WO disclosed
EP-0103225-B1 PHOTORESIST FOR CREATING RELIEF STRUCTURES ON HIGH-TEMPERATURE RESISTANT POLYMERS MERCK PATENT GmbH (DE) 1987-02-04 EP disclosed
EP-0067416-B1 CATALYTIC COMPONENT FOR POLYMERIZATION OF ALPHA-OLEFIN AND METHOD FOR HOMO- OR CO-POLYMERIZATION OF ALPHA-OLEFIN TOYO STAUFFER CHEMICAL CO. LTD. (JP) 1986-05-07 EP disclosed
US-4525558-A COORDINATION POLYMERIZATION CATALYST CONTAINING ORGANOMAGNESIUM COMPOUND, CARBON TETRACHLORIDE, ELECTRON DONOR, PHENOL AND HALOGENATED TITANIUM COMPOUND TOYO STAUFFER CHEMICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4439539-A Catalytic component for polymerization of α-olefin and method for homo- or co-polymerization of α-olefin TOYO STAUFFER CHEMICAL CO., LTD. (JP) 1984-03-27 US disclosed
US-4439541-A Catalytic component for polymerization of α-olefin and method for homo- or co-polymerization of α-olefin TOYO STAUFFER CHEMICAL CO., LTD. (JP) 1984-03-27 US disclosed
EP-0103225-A2 Photoresist for creating relief structures on high-temperature resistant polymers MERCK PATENT GmbH (DE) 1984-03-21 EP disclosed
EP-0067416-A2 Catalytic component for polymerization of alpha-olefin and method for homo- or co-polymerization of alpha-olefin TOYO STAUFFER CHEMICAL CO. LTD. (JP) 1982-12-22 EP disclosed
EP-0067417-A2 Catalytic component for polymerization of alpha-olefin and method for homo-or co-polymerization of alpha-olefin TOYO STAUFFER CHEMICAL CO. LTD. (JP) 1982-12-22 EP disclosed
US-4187385-A TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE MITSUI TOATSU CHEMICAL, INC. (JP) 1980-02-05 US disclosed