SCHEMBL12731998

SCHEMBL12731998

c1ccc(-c2cc(-c3cc4cccnc4c4ncccc34)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TOP1 P11387 5/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP1 P22413 1/20 0.35
CKS1B P61024 1/20 0.35
GLO1 Q04760 1/20 0.35
SKP2 Q13309 1/20 0.35
PDE4A P27815 2/20 0.35
PIK3CD O00329 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 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
SCHEMBL12732000 0.93 CCR1 (0.39) CCR1CCR8L3MBTL1TOP1ALDH1A1
SCHEMBL12731971 0.84 TOP1 (0.38) CCR1CCR8L3MBTL1TOP1ALDH1A1
SCHEMBL12731968 0.83 CCR1 (0.43) CCR1CCR8L3MBTL1TOP1MAPT
SCHEMBL12731980 0.82 L3MBTL1 (0.40) CCR1CCR8L3MBTL1TOP1ALDH1A1
SCHEMBL12731969 0.81 TOP1 (0.41) CCR1CCR8TOP1MAPTLMNA
SCHEMBL2140937 0.80 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTHPGDMEN1
SCHEMBL22956105 0.80 CCR1 (0.42) CCR1CCR8L3MBTL1TOP1ALDH1A1
SCHEMBL12731984 0.80 LMNA (0.43) CCR1CCR8TOP1ALDH1A1MAPT
SCHEMBL2158220 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTHPGDMEN1
SCHEMBL17014572 0.80 TOP1 (0.43) CCR1CCR8TOP1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7931975-B2 Electroluminescent device containing a flouranthene compound GLOBAL OLED TECHNOLOGY LLC (US) 2011-04-26 US disclosed
US-7931975-B2 Electroluminescent device containing a flouranthene compound GLOBAL OLED TECHNOLOGY LLC (US) 2011-04-26 US disclosed
US-20100117519-A1 ELECTROLUMINESCENT DEVICE CONTAINING A FLOURANTHENE COMPOUND GLOBAL OLED TECHNOLOGY LLC 2010-05-13 US disclosed
US-20100117519-A1 ELECTROLUMINESCENT DEVICE CONTAINING A FLOURANTHENE COMPOUND GLOBAL OLED TECHNOLOGY LLC 2010-05-13 US disclosed