SCHEMBL19917616

SCHEMBL19917616

N#Cc1ccccc1-c1cc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
KIF11 P52732 2/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
AR P10275 4/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
ESR2 Q92731 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PGR P06401 1/20 0.34
MAT2A P31153 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL19917620 0.97 KIF11 (0.43) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917531 0.91 PTPN5 (0.41) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL25660313 0.90 ALOX5AP (0.42) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL25660316 0.90 KIF11 (0.43) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917621 0.90 PTPN5 (0.39) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL21258825 0.90 AR (0.43) PTPN5ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL19917590 0.88 AR (0.46) PTPN5ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL21258832 0.87 AR (0.41) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917601 0.86 PTPN5 (0.37) PTPN5KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL25658541 0.86 ALOX5AP (0.41) PTPN5KIF11ALDH1A1MAPTSMN1; 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