SCHEMBL13024901

SCHEMBL13024901

CC1(C)c2ccccc2-c2c1ccc1c(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)cc3c(c21)-c1ccccc1C3(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.34
CCR8 P51685 4/20 0.34
CCR5 P51681 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 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
SCHEMBL10009836 0.92 CCR1 (0.37) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL13024427 0.85 PDK2 (0.33) CCR1CCR8CCR5KDM4EPOLB
SCHEMBL13487056 0.83 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL26468733 0.82 KDM4E (0.31) L3MBTL1KDM4EMAPTNPC1ALDH1A1
SCHEMBL13487352 0.81 CCR1 (0.32) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL13487274 0.81 CYP17A1 (0.33) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL13150092 0.81 CCR1 (0.32) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL13487173 0.81 CCR1 (0.32) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL13487108 0.81 TOP1 (0.32) CCR1CCR8CCR5L3MBTL1KDM4E
SCHEMBL13488118 0.78 CCR1 (0.34) CCR1CCR8CCR5L3MBTL1KDM4E

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-2010151006-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-29 WO disclosed