SCHEMBL17875451

SCHEMBL17875451

C=C(C)c1ccc(-c2cc3c(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)nc3c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 5/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
DHODH Q02127 1/20 0.40
HPGD P15428 6/20 0.39
RARA P10276 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTSR1 P30989 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL17875545 0.86 ACACA (0.41) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL17875517 0.84 KDM4E (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13084020 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13643127 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13642820 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13643123 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13643121 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13083978 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13083987 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A
SCHEMBL13642821 0.83 MEN1 (0.53) ACACAALDH1A1MAPTMEN1KMT2A

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-2508585-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2016-06-29 EP disclosed