SCHEMBL9912939

SCHEMBL9912939

Cc1cccc(N(c2cccc(C)c2)c2cccc(-n3c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc43)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAT2A P31153 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.34
ACHE P22303 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MGLL Q99685 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
GFER P55789 1/20 0.32
ADRB1 P08588 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
SCHEMBL9912920 0.96 SMN1; SMN2 (0.37) SMN1; SMN2NOTUMHTR7ALDH1A1HPGD
SCHEMBL9912958 0.92 ACHE (0.32) TDP1SMN1; SMN2ACHEHTR7ALDH1A1
SCHEMBL1144028 0.91 KDM4E (0.41) SMN1; SMN2HTR7ALDH1A1HPGDL3MBTL1
SCHEMBL9912940 0.91 POLB (0.34) SMN1; SMN2ALDH1A1HPGDL3MBTL1GAA
SCHEMBL9912874 0.91 POLB (0.34) TDP1SMN1; SMN2ACHEHTR7ALDH1A1
SCHEMBL9912921 0.91 LMNA (0.39) TDP1MAT2ASMN1; SMN2HTR7HPGD
SCHEMBL9912944 0.88 ALDH1A1 (0.34) TDP1SMN1; SMN2HTR7ALDH1A1HPGD
SCHEMBL9912915 0.88 KDM4E (0.37) TDP1SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL9912964 0.88 KDM4E (0.37) TDP1SMN1; SMN2HTR7ALDH1A1HPGD
SCHEMBL9912892 0.88 KDM4E (0.37) TDP1SMN1; SMN2HTR7ALDH1A1HPGD

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