SCHEMBL13706643

SCHEMBL13706643

Cc1cc(C(C)(C)C)ccc1N(c1ccccc1)c1ccc2c(-c3cccc(-c4ccccc4)c3)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3c(-c3cccc(-c4ccccc4)c3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KIF11 P52732 1/20 0.32
CYP2D6 P10635 1/20 0.31
ASIC1 P78348 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL1103700 0.91 DHODH (0.38) DHODHALDH1A1MAPTRXRARXRB
SCHEMBL14515992 0.86 PTGES (0.37) DHODHRXRARXRBKIF11CYP2D6
SCHEMBL13615706 0.85 PTGES (0.39) DHODHRXRARXRBKIF11CYP2D6
SCHEMBL12770708 0.83 PTGES (0.41) DHODHALDH1A1MAPTRXRARXRB
SCHEMBL10304794 0.83 PTGES (0.37) ALDH1A1MAPTKIF11CYP2D6PTGES
SCHEMBL10304792 0.82 PTGES (0.38) ALDH1A1MAPTKIF11CYP2D6PTGES
SCHEMBL13615686 0.80 TP53 (0.37) ALDH1A1MAPTKIF11CYP2D6PTGES
SCHEMBL12928329 0.80 TP53 (0.37) ALDH1A1MAPTKIF11CYP2D6PTGES
SCHEMBL13615646 0.80 TP53 (0.37) ALDH1A1MAPTKIF11CYP2D6PTGES
SCHEMBL14100083 0.80 ALDH1A1 (0.38) ALDH1A1MAPTCYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100941-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-16 EP disclosed