SCHEMBL75980

SCHEMBL75980

c1ccc(N(c2ccc(Nc3ccc(-c4ccc(Nc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4-c4cccc5ccccc45)c(-c4cccc5ccccc45)c3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
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 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL28389125 0.82 ALDH1A1 (0.67) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL349529 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL4893481 0.82 ALDH1A1 (0.67) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL6395307 0.82 AKR1C3 (0.40) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL14878705 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL22788187 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL75981 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL23561391 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL28424995 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL30805718 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4HPGDHSD17B10MAPT

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