SCHEMBL29404656

SCHEMBL29404656

N#Cc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAOB P27338 6/20 0.56
MAOA P21397 5/20 0.56
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
OPRD1 P41143 1/20 0.41
MAPT P10636 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
MMP3 P08254 1/20 0.38
ENPP2 Q13822 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
Hydrochloric Acid SCHEMBL7247582 0.98 TSHR (0.56) TSHRMAOBMAOACYP2A6ALDH1A1
Bromide SCHEMBL7883475 0.98 TSHR (0.56) TSHRMAOBMAOACYP2A6ALDH1A1
SCHEMBL11325583 0.82 TSHR (0.41) TSHRMAOBMAOACA12CA2
SCHEMBL11325604 0.82 TSHR (0.41) TSHRMAOBMAOACA12CA2
Tetraphenylphosphonium SCHEMBL3330077 0.82 TSHR (0.46) TSHRMAOBMAOAALDH1A1MAPT
Tetraphenylphosphonium SCHEMBL1824629 0.80 TSHR (0.42) TSHRMAOBMAOAALDH1A1CA2
SCHEMBL23046650 0.79 TSHR (0.93) TSHRMAOBMAOACYP2A6ALDH1A1
Bromide SCHEMBL7884753 0.79 TSHR (0.50) TSHRMAOBMAOAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7929181 0.79 TSHR (0.50) TSHRMAOBMAOAALDH1A1MAPT
Tetraphenylphosphonium SCHEMBL19464153 0.78 TSHR (0.42) TSHRMAOBMAOA

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-109554122-B Curing adhesive for polarizing film, optical film, and image display device 日东电工株式会社 2022-03-01 CN disclosed