SCHEMBL23711896

SCHEMBL23711896

c1ccc(-c2cc(-c3ccc(-c4ccccc4-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)cc3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.37
PDK2 Q15119 1/20 0.35
TGFBR1 P36897 2/20 0.34
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL23711899 0.96 KDM4E (0.42) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23711898 0.95 KDM4E (0.41) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23711906 0.95 KDM4E (0.41) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23712255 0.95 KDM4E (0.41) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23711902 0.95 KDM4E (0.41) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23711897 0.95 KDM4E (0.41) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23711903 0.94 KDM4E (0.39) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23712110 0.94 KDM4E (0.45) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL23711901 0.94 KDM4E (0.45) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL29342499 0.94 KDM4E (0.45) KDM4ETP53SMN1; SMN2LMNACCR1

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
WO-2021152940-A1 COMPOUND, ORGANIC THIN-FILM LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2021-08-05 WO disclosed