SCHEMBL13024065

SCHEMBL13024065

Brc1ccc2cc(N(c3ccccc3)c3ccc4cc(-c5ccc6cc(N(c7ccccc7)c7ccc8cc(Br)ccc8c7)ccc6c5)ccc4c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP19A1 P11511 1/20 0.37
ACMSD Q8TDX5 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
SCHEMBL19784928 1.00 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL556519 0.95 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL4980612 0.95 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL17740595 0.93 ALDH1A1 (0.47) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL14263643 0.93 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL31672318 0.93 CYP2A6 (0.56) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL1680173 0.93 CYP2A6 (0.56) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL15906976 0.91 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL29992944 0.91 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL15449512 0.89 CYP2A6 (0.63) CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558221-B2 Polymeric compound containing dopant and host repeating units and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-15 US disclosed
US-8558221-B2 Polymeric compound containing dopant and host repeating units and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-15 US disclosed
US-20100289014-A1 POLYMERIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-18 US disclosed
US-20100289014-A1 POLYMERIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-18 US disclosed