SCHEMBL19917601

SCHEMBL19917601

N#Cc1ccccc1-c1cc(-n2c3ccccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c(C#N)c(-n2c3ccccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.37
AR P10275 5/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KIF11 P52732 1/20 0.33
ESR2 Q92731 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
PGR P06401 2/20 0.32
NR3C1 P04150 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL19903452 0.97 PTPN5 (0.37) PTPN5ARGRIN1GRIN2BALDH1A1
SCHEMBL25660476 0.92 ALOX5AP (0.38) PTPN5ARGRIN1GRIN2BALDH1A1
SCHEMBL20617062 0.92 RXRA (0.38) PTPN5ARGRIN1GRIN2BALDH1A1
SCHEMBL19918048 0.92 KIF11 (0.38) ALDH1A1MAPTSMN1; SMN2TDP1KIF11
SCHEMBL19903448 0.91 PTPN5 (0.37) PTPN5ARALDH1A1MAPTSMN1; SMN2
SCHEMBL19917620 0.89 KIF11 (0.43) PTPN5ARGRIN1GRIN2BALDH1A1
SCHEMBL20617056 0.89 RXRA (0.39) PTPN5ARGRIN1GRIN2BALDH1A1
SCHEMBL19917999 0.88 RXRA (0.37) PTPN5ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL20617436 0.87 RXRA (0.41) PTPN5GRIN1GRIN2BALDH1A1MAPT
SCHEMBL19903453 0.87 PTPN5 (0.39) PTPN5ARALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504200-B1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2021-01-20 EP disclosed
WO-2018037069-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2018-03-01 WO disclosed