SCHEMBL18018804

SCHEMBL18018804

Cc1ccccc1-c1ccccc1Nc1cccc(-c2cccc(-c3cc4c5ccccc5c5ccccc5c4cc3-c3ccccc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 3/20 0.36
EPHX2 P34913 1/20 0.36
AKR1C3 P42330 1/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
CDC25B P30305 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 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
SCHEMBL16092698 0.90 SIRT2 (0.42) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL16523881 0.90 MAP4K4 (0.40) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL16523880 0.90 MAP4K4 (0.40) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL16092696 0.89 SIRT2 (0.41) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL16092605 0.89 SIRT2 (0.41) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL18018803 0.88 SIRT2 (0.43) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL16092594 0.88 MAP4K4 (0.41) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL17779810 0.88 SIRT2 (0.39) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL18383212 0.86 SIRT2 (0.48) SIRT2SIRT1CNR1KDM4EMEN1
SCHEMBL18015899 0.86 SIRT2 (0.45) SIRT2SIRT1CNR1KDM4EMEN1

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-9419225-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-08-16 US disclosed