SCHEMBL13448191

SCHEMBL13448191

C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(/C=C\c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
RELA Q04206 3/20 0.48
APP P05067 2/20 0.41
MAOB P27338 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CA1 P00915 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL15133328 1.00 ALDH1A1 (0.50) ALDH1A1TSHRRELAAPPMAOB
SCHEMBL3524934 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPMAOB
SCHEMBL3524935 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPMAOB
SCHEMBL13778855 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E
SCHEMBL22269957 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E
SCHEMBL825591 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E
SCHEMBL21730727 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E
SCHEMBL22332068 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E
SCHEMBL5880683 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E
SCHEMBL14529750 0.93 ALDH1A1 (0.52) ALDH1A1TSHRRELAAPPKDM4E

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
EP-2166592-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2166588-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed