SCHEMBL9912905

SCHEMBL9912905

COc1ccc(N(c2ccc(-n3c4ccc(N(c5ccc(OC)cc5)c5cccc6ccccc56)cc4c4cc(N(c5ccc(OC)cc5)c5cccc6ccccc56)ccc43)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
STAT3 P40763 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 4/20 0.38

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
SCHEMBL9912954 0.93 TUBB4A (0.38) MAPTLMNATUBB4ATUBBTUBA3C
SCHEMBL9912927 0.93 TUBB4A (0.38) MAPTLMNATUBB4ATUBBTUBA3C
SCHEMBL9912977 0.91 KDM4E (0.38) MAPTKDM4EHTTHPGDALDH1A1
SCHEMBL9912976 0.91 KDM4E (0.38) MAPTKDM4EHTTHPGDALDH1A1
SCHEMBL8928190 0.89 MAPT (0.45) MAPTLMNAKDM4EHTTHPGD
SCHEMBL9912914 0.89 MTNR1A (0.39) MAPTTUBB4ATUBBTUBA3CSTAT3
SCHEMBL9912864 0.87 L3MBTL1 (0.39) KDM4EL3MBTL1ATM
SCHEMBL9912870 0.87 KDM4E (0.37) LMNAKDM4EHTTHPGDALDH1A1
SCHEMBL9912898 0.86 TP53 (0.35) MAPTKDM4EKMT2AL3MBTL1SMN1; SMN2
SCHEMBL9912972 0.86 L3MBTL1 (0.38) MAPTKDM4EALDH1A1L3MBTL1CYP1A2

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