SCHEMBL21454597

SCHEMBL21454597

N#Cc1c(F)c(C#N)c(-c2ccccc2)c(F)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
ADORA1 P30542 7/20 0.42
ADORA2A P29274 6/20 0.42
ADORA2B P29275 2/20 0.42
ADRA2A P08913 1/20 0.42
HTT P42858 1/20 0.42
PDE9A O76083 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IDO1 P14902 1/20 0.39
DYRK1A Q13627 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL23174834 0.93 ALDH1A1 (0.48) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL23629595 0.92 ALDH1A1 (0.44) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL16122341 0.91 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21913682 0.91 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL24701503 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL23629584 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21454799 0.88 ADORA1 (0.42) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL16122427 0.88 GRIA4 (0.45) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21437025 0.87 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL24701506 0.87 HSD17B10 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT

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
WO-2022260119-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed
WO-2019195104-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-10-10 WO disclosed