SCHEMBL12731985

SCHEMBL12731985

c1ccc(-c2cc(-c3cc4ccc5cccnc5c4cn3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
TDO2 P48775 3/20 0.39
TOP1 P11387 6/20 0.37
NPC1 O15118 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL12731969 0.85 TOP1 (0.41) TOP1NPC1CCR1CCR5CCR8
SCHEMBL12731968 0.83 CCR1 (0.43) TOP1NPC1CCR1CCR5CCR8
SCHEMBL17014572 0.82 TOP1 (0.43) TOP1NPC1CCR1CCR5CCR8
SCHEMBL17014577 0.81 TOP1 (0.42) TOP1NPC1CCR1CCR5CCR8
SCHEMBL12731970 0.79 KDM4E (0.36) TOP1NPC1CCR1CCR5CCR8
SCHEMBL12731971 0.79 TOP1 (0.38) TOP1CCR1CCR5CCR8LMNA
SCHEMBL12731987 0.79 TOP1 (0.38) TOP1CCR1CCR5CCR8LMNA
SCHEMBL2733743 0.79 GRM5 (0.41) TOP1NPC1CCR1CCR5CCR8
SCHEMBL12731998 0.78 CCR1 (0.40) TOP1CCR1CCR8LMNATP53
SCHEMBL12731995 0.78 BRD4 (0.39) TOP1CCR1CCR5CCR8LMNA

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