SCHEMBL16800591

SCHEMBL16800591

Oc1c(-c2ccccc2)cccc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.47
LMNA P02545 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
HNF4A P41235 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL2734583 0.90 KDM4E (0.56) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL27992763 0.86 KDM4E (0.52) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL30525703 0.84 ALDH1A1 (0.50) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL30336107 0.82 KDM4E (0.52) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL3364759 0.82 KDM4E (0.56) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL5463849 0.81 KDM4E (0.50) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL31618896 0.80 KDM4E (0.54) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL29986091 0.80 KDM4E (0.54) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL30392773 0.80 KDM4E (0.54) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL27924279 0.80 KDM4E (0.65) LMNAKDM4ECCR1CCR5CCR8

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
WO-2015084021-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-11 WO disclosed