SCHEMBL12731995

SCHEMBL12731995

c1ccc(-c2cccc(-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4cccc(-c5ccccc5)c4)c4c3-c3cccc5cccc-4c35)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MMP8 P22894 1/20 0.36
CCR1 P32246 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
MMP13 P45452 1/20 0.36

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 0.92 TOP1 (0.41) BRD4KDM4EGMNNLMNATP53
SCHEMBL17014577 0.87 TOP1 (0.42) BRD4KDM4EGMNNLMNATP53
SCHEMBL17014572 0.86 TOP1 (0.43) BRD4KDM4EGMNNLMNATP53
SCHEMBL12731970 0.85 KDM4E (0.36) BRD4KDM4EGMNNLMNATP53
SCHEMBL17014611 0.85 TOP1 (0.42) BRD4KDM4EGMNNLMNATP53
SCHEMBL12731987 0.83 TOP1 (0.38) BRD4KDM4EGMNNLMNATP53
SCHEMBL16852209 0.81 CCR1 (0.52) BRD4KDM4EGMNNLMNATP53
SCHEMBL12731971 0.81 TOP1 (0.38) BRD4LMNAMAPTCCR1CCR5
SCHEMBL17014573 0.80 TOP1 (0.35) BRD4KDM4EGMNNLMNATP53
SCHEMBL16670006 0.80 ALDH1A1 (0.41) LMNATP53CYP3A4MAPTTSHR

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