SCHEMBL75981

SCHEMBL75981

c1ccc(N(c2ccc(Nc3ccc(-c4ccc(Nc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)c(-c5cccc6ccccc56)c4-c4cccc5ccccc45)cc3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CDC25B P30305 1/20 0.35
ATM Q13315 1/20 0.35
KDM1A O60341 1/20 0.34
RAB9A P51151 2/20 0.33
PPARG P37231 8/20 0.33
PPARA Q07869 8/20 0.33
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ACP1 P24666 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL29385153 0.84 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL349530 0.84 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL21699686 0.84 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL75980 0.81 ALDH1A1 (0.45) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL13175115 0.81 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL557047 0.80 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL7716912 0.80 MEN1 (0.36) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL12956003 0.79 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL29404719 0.79 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL19738510 0.79 ALDH1A1 (0.45) ALDH1A1MAPTCYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129039-B2 Phosphorescent OLED device with certain fluoranthene host GLOBAL OLED TECHNOLOGY, LLC (US) 2012-03-06 US disclosed
US-20090108736-A1 PHOSPHORESCENT OLED DEVICE WITH CERTAIN FLUORANTHENE HOST GLOBAL OLED TECHNOLOGY LLC 2009-04-30 US disclosed