SCHEMBL21560752

SCHEMBL21560752

Cc1cc2cc(-c3ccc(-c4cnc5c(c4)c(C)cc4cc(-c6ccc(-c7cnc8c(c7)c(C)cc7cccnc78)cc6)cnc45)cc3)cnc2c2ncccc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.69
CCR8 P51685 4/20 0.69
L3MBTL1 Q9Y468 5/20 0.48
CCR5 P51681 2/20 0.48
DYRK1A Q13627 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SLC40A1 Q9NP59 1/20 0.41
PSMB5 P28074 1/20 0.41
PARP1 P09874 1/20 0.41
NPC1 O15118 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 4/20 0.40
PSMD14 O00487 2/20 0.39
COPS5 Q92905 2/20 0.39
SLC6A2 P23975 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL371564 0.83 CCR1 (1.00) CCR1CCR8L3MBTL1CCR5DYRK1A
SCHEMBL31020233 0.82 CCR1 (0.96) CCR1CCR8L3MBTL1CCR5DYRK1A
Water SCHEMBL30586101 0.82 CCR1 (0.96) CCR1CCR8L3MBTL1CCR5DYRK1A
Phenanthroline SCHEMBL21518505 0.80 CCR1 (0.93) CCR1CCR8L3MBTL1CCR5DYRK1A
SCHEMBL24201028 0.80 CCR1 (0.60) CCR1CCR8L3MBTL1CCR5DYRK1A
SCHEMBL19961979 0.79 CCR1 (0.72) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL17125609 0.78 CCR1 (0.62) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL11910132 0.78 CCR1 (0.62) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL18806859 0.78 CCR1 (0.62) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL17125610 0.78 CCR1 (0.51) CCR1CCR8L3MBTL1CCR5DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190348614-A1 ELECTRON TRANSPORTING LAYERS, ORGANIC ELECTROLUMINESCENCE DEVICES, AND DISPLAYS KUNSHAN GOVISIONOX OPTOELECTRONICS CO LTD (CN) 2019-11-14 US disclosed