SCHEMBL17875545

SCHEMBL17875545

C=C(I)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc3c2cc(-c2ccc(-c4ccccc4)cc2)c2ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 6/20 0.41
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NTSR1 P30989 1/20 0.39
MPI P34949 1/20 0.39
RARA P10276 1/20 0.37
CTRC Q99895 1/20 0.37
TOP1 P11387 2/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL17875451 0.86 ACACA (0.44) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13643127 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13084020 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13642821 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13642820 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13643121 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13083978 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13643123 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13083987 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD
SCHEMBL13083919 0.83 MEN1 (0.53) ACACADHODHALDH1A1MAPTHPGD

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