SCHEMBL18901323

SCHEMBL18901323

C1=CCCC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)n2)=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 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
SCHEMBL22074512 0.91 CYP1A1 (0.42) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL22075537 0.90 CYP1A1 (0.44) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL25023637 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL27456903 0.87 L3MBTL1 (0.40) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL23193401 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL19791233 0.85 L3MBTL1 (0.37) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL25621745 0.84 ESR1 (0.34) MEN1KMT2AALDH1A1CYP1A2ESR1
SCHEMBL18904706 0.84 L3MBTL1 (0.42) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL13191089 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL22544968 0.83 ABCG2 (0.42) CYP11B2

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-3174123-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG Display Co., Ltd. (KR) 2017-05-31 EP disclosed