SCHEMBL9017239

SCHEMBL9017239

CN(C)c1ccc(C=CC=Cc2ccc(C=CC=Cc3ccc(N(C)C)cc3)cc2)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.95
RELA Q04206 1/20 0.67
MAPT P10636 5/20 0.66
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALOX15 P16050 2/20 0.61
CASP1 P29466 2/20 0.61
HBB P68871 2/20 0.61

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
SCHEMBL11876857 1.00 APP (0.95) APPRELAMAPTHDAC3HDAC4
SCHEMBL9017237 1.00 APP (0.95) APPRELAMAPTHDAC3HDAC4
SCHEMBL11876851 1.00 APP (0.95) APPRELAMAPTHDAC3HDAC4
SCHEMBL2831927 0.97 APP (1.00) APPRELAMAPTHDAC3HDAC4
SCHEMBL13050832 0.91 APP (0.79) APPRELAMAPTHDAC3HDAC4
SCHEMBL12267732 0.91 APP (0.79) APPRELAMAPTHDAC3HDAC4
SCHEMBL13467434 0.89 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL7915381 0.89 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL1714446 0.89 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL3025040 0.89 RELA (0.81) APPRELAMAPTMEN1KMT2A

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-5486441-A CHARGE TRANSPORT TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-01-23 US disclosed
US-5463128-A Charge transporting material TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-10-31 US disclosed