SCHEMBL28124379

SCHEMBL28124379

[CH2]C#CCc1ccc2ccccc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPRT1 P00492 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRB2 P47870 1/20 0.33
NCEH1 Q6PIU2 2/20 0.33
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 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
SCHEMBL956020 0.79 POLB (0.46) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1306450 0.78 CYP1A2 (0.48) POLBALDH1A1TDP1MAPT
SCHEMBL28123934 0.76 HSD17B10 (0.38) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL28206413 0.76 POLB (0.50) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL596646 0.74 POLB (0.57) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30274454 0.74 POLB (0.52) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4698955 0.74 POLB (0.52) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL14151518 0.73 POLB (0.47) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6403911 0.72 POLB (0.50) POLBALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8904831 0.72 POLB (0.50) POLBALDH1A1HSD17B10CYP2A6TSHR

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
CN-106414461-A BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR 和光纯药工业株式会社 2017-02-15 CN disclosed