SCHEMBL12433909

SCHEMBL12433909

CC(C)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc3c(C(C)C)cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc1c2c43

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RARA P10276 1/20 0.33
METAP2 P50579 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSP90AA1 P07900 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL18079874 0.94 KDM4E (0.31) ALDH1A1L3MBTL1MAPTTDP1KDM4E
SCHEMBL17263989 0.93 RARA (0.30) ALDH1A1L3MBTL1MAPTTDP1KDM4E
SCHEMBL17264031 0.87 KDM4E (0.31) KDM4E
SCHEMBL16639645 0.86 RARA (0.32) RARAMETAP2CA12CA1CA2
SCHEMBL2211620 0.84 LMNA (0.30)
SCHEMBL12433936 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTTDP1KDM4E
SCHEMBL17264032 0.82
SCHEMBL16639318 0.82 HPRT1 (0.33) ALDH1A1MAPTKDM4ERARAMEN1
SCHEMBL2208703 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTTDP1KDM4E
SCHEMBL17263976 0.82 HSP90AA1 (0.31) HSP90AA1

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-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed
US-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed