SCHEMBL13203370

SCHEMBL13203370

Cc1cc(C)cc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cc(C)cc(C)c5)n4)cc(-c4cc(-c5ccccc5)cc(-c5cc(C)cc(C)c5)n4)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
CYP19A1 P11511 1/20 0.52
ADORA1 P30542 3/20 0.49
ADORA2A P29274 2/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HPGD P15428 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
AGTR1 P30556 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4546864 0.98 MEN1 (0.56) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL13203381 0.96 MEN1 (0.54) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL18267890 0.96 MEN1 (0.59) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL12973126 0.96 MEN1 (0.54) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL17932476 0.94 MEN1 (0.62) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL4546865 0.92 MEN1 (0.51) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL18329843 0.92 MEN1 (0.53) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL28111412 0.92 MEN1 (0.58) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL4546885 0.91 MEN1 (0.50) MEN1KMT2ACYP19A1ADORA1ADORA2A
SCHEMBL4546869 0.91 MEN1 (0.50) MEN1KMT2ACYP19A1ADORA1ADORA2A

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-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed