SCHEMBL9912944

SCHEMBL9912944

Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(-n3c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4c4cc(N(c5ccccc5)c5cccc(C)c5)ccc43)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR7 P34969 1/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 2/20 0.33
ALOX15 P16050 2/20 0.33
APP P05067 1/20 0.33
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9912958 0.96 ACHE (0.32) ALDH1A1MAPTMEN1KMT2AHTR7
SCHEMBL9912920 0.93 SMN1; SMN2 (0.37) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL15595174 0.93 APP (0.36) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9912892 0.92 KDM4E (0.37) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9912964 0.92 KDM4E (0.37) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1144028 0.92 KDM4E (0.41) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9912945 0.92 APP (0.37) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9912968 0.92 KDM4E (0.37) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9912941 0.90 L3MBTL1 (0.38) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9912949 0.90 TDP1 (0.38) MAPTMEN1KMT2ANPSR1SMN1; SMN2

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-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed