SCHEMBL22562591

SCHEMBL22562591

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cccc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
ALDH1A3 P47895 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
PTGER4 P35408 1/20 0.36
AKT1 P31749 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
TGFBR1 P36897 1/20 0.33
JAK2 O60674 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
SCHEMBL22562256 0.97 MYC (0.41) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22562293 0.96 CYP11B1 (0.36) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562597 0.94 MYC (0.39) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22562202 0.93 ALDH1A3 (0.38) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22562295 0.93 CYP11B1 (0.38) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL19919818 0.91 MYC (0.44) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22562605 0.91 MYC (0.41) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22562347 0.89 CYP11B1 (0.36) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562514 0.89 CSNK2A1 (0.38) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL23487700 0.89 ABCG2 (0.39) MYCALDH1A3GABRA1GABRG2GABRB3

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
EP-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed