SCHEMBL18174570

SCHEMBL18174570

Cc1c(-c2ccccn2)cccc1-c1c2ccccc2c(-c2cccc(-c3ccccn3)c2C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 7/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL19592547 0.89 KDM4E (0.56) BRD4KDM4ELMNACCR1CCR5
SCHEMBL18174587 0.86 PDCD1 (0.39) BRD4KDM4ELMNASMN1; SMN2TP53
SCHEMBL18877440 0.81 KDM4E (0.52) BRD4KDM4ELMNACCR1CCR5
SCHEMBL26259997 0.80 KDM4E (0.62) BRD4KDM4ELMNACCR1CCR5
SCHEMBL13834138 0.80 PDCD1 (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12925872 0.79 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19275963 0.79 KDM4E (0.54) BRD4KDM4ELMNACCR1CCR5
SCHEMBL17227633 0.79 KDM4E (0.54) BRD4KDM4ELMNACCR1CCR5
SCHEMBL27924279 0.78 KDM4E (0.65) BRD4KDM4ELMNACCR1CCR5
SCHEMBL12339130 0.78 CYP1A2 (0.50) BRD4KDM4ELMNACCR1CCR5

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
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed