SCHEMBL14566260

SCHEMBL14566260

CC(C)(C)c1cccc(-n2n3c4ccc(Br)cc4n23)c1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ALOX12 P18054 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14566258 0.84 CA2 (0.53) CA2GABRA1GABRB2ALOX12RBP4
SCHEMBL9002268 0.83 CYP1A2 (0.35) CA2GABRA1GABRB2PTGDR2RBP4
SCHEMBL14566259 0.83 CA2 (0.43) CA2GABRA1GABRB2ALOX12ATM
SCHEMBL13652818 0.70 ESR1 (0.40) CA2GABRA1GABRB2RBP4ATM
SCHEMBL14566262 0.70 CA2 (0.35) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL13245893 0.69 SMN1; SMN2 (0.53) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL9002281 0.69 TSHR (0.46) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL28361779 0.67 CA2 (0.94) CA2GABRA1GABRB2ALOX12ATM
SCHEMBL22444875 0.67 CA2 (0.94) CA2GABRA1GABRB2ALOX12ATM
SCHEMBL30027561 0.67 CA2 (0.94) CA2GABRA1GABRB2ALOX12ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070048458-A1 Optical film, method of producing the same, optical compensatory film, polarizing film, and liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-03-01 — — US disclosed
Send feedback