SCHEMBL9912927

SCHEMBL9912927

COc1ccc(N(c2cccc(-n3c4ccc(N(c5ccc(OC)cc5)c5cccc6ccccc56)cc4c4cc(N(c5ccc(OC)cc5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
STAT3 P40763 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 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
SCHEMBL9912954 0.93 TUBB4A (0.38) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL9912928 0.93 SMN1; SMN2 (0.40) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL9912905 0.93 MAPT (0.41) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL9912919 0.89 L3MBTL1 (0.38) KDM4EL3MBTL1CNR1CNR2SIGMAR1
SCHEMBL9912952 0.88 KMT2A (0.36) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL8928190 0.87 MAPT (0.45) KDM4EMAPTHTTMEN1ALDH1A1
SCHEMBL9912918 0.87 SIGMAR1 (0.34) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL9912929 0.87 CYP1A2 (0.40) KDM4EMAPTHTTMEN1ALDH1A1
SCHEMBL9912916 0.87 KDM4E (0.45) KDM4EMAPTHTTMEN1ALDH1A1
SCHEMBL9912977 0.87 KDM4E (0.38) KDM4EMAPTHTTMEN1ALDH1A1

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