SCHEMBL12731982

SCHEMBL12731982

c1ccc2cc(-c3cc(-c4cnc5c(ccc6cccnc65)c4)c(-c4ccc5ccccc5c4)c4c3-c3cccc5cccc-4c35)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL12731968 0.89 CCR1 (0.43) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL12731981 0.85 KDM4E (0.46) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL2734550 0.82 KDM4E (0.46) KDM4ETP53TSHRHIF1AMET
SCHEMBL12731993 0.81 CCR1 (0.47) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL12731988 0.81 CCR1 (0.39) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL12731984 0.79 LMNA (0.43) CCR1CCR5CCR8KDM4ETP53
SCHEMBL12914278 0.78 TSHR (0.52) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL9942397 0.77 CCR1 (0.61) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL12731995 0.77 BRD4 (0.39) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL13145567 0.77 CCR1 (0.50) CCR1CCR5CCR8KDM4ETDP1

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