SCHEMBL19917620

SCHEMBL19917620

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
PTPN5 P54829 1/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
AR P10275 4/20 0.34
HSP90AA1 P07900 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ESR2 Q92731 1/20 0.33
MAT2A P31153 1/20 0.32
PGR P06401 1/20 0.32
CNR2 P34972 1/20 0.32
GRIN1 Q05586 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
SCHEMBL19917616 0.97 PTPN5 (0.41) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917621 0.93 PTPN5 (0.39) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL25660316 0.93 KIF11 (0.43) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL21258832 0.90 AR (0.41) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917531 0.90 PTPN5 (0.41) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL25658541 0.90 ALOX5AP (0.41) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917601 0.89 PTPN5 (0.37) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL19917605 0.89 GABRG2 (0.36) KIF11PTPN5ALDH1A1SMN1; SMN2GABRA1
SCHEMBL25658546 0.89 ALOX5AP (0.40) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL25660237 0.89 KIF11 (0.42) KIF11ALDH1A1MAPTSMN1; SMN2TDP1

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