SCHEMBL20122066

SCHEMBL20122066

CCCCCCCc1ccc(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 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
SCHEMBL1756488 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3076471 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL1304794 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL15791269 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3883593 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3877421 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3357183 0.98 TDP1 (0.41) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3870601 0.92 KDM4E (0.42) KDM4ETDP1ALDH1A1HSD17B10POLB
SCHEMBL10005497 0.89 KDM4E (0.36) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL21980888 0.89 KDM4E (0.36) KDM4ETDP1ESR1ADRA2AADORA3

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
CN-112920813-B Photo-thermal response chiral photosensitive liquid crystal dopant containing azobenzene binaphthyl 湘潭大学 2023-08-22 CN claimed
CN-112920813-A Photo-thermal responsive chiral photosensitive liquid crystal dopant containing azobenzene binaphthalene 湘潭大学 2021-06-08 CN claimed
CN-112920813-B Photo-thermal response chiral photosensitive liquid crystal dopant containing azobenzene binaphthyl 湘潭大学 2023-08-22 CN disclosed
CN-112920813-A Photo-thermal responsive chiral photosensitive liquid crystal dopant containing azobenzene binaphthalene 湘潭大学 2021-06-08 CN disclosed
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 US disclosed