SCHEMBL6154551

SCHEMBL6154551

Cc1c2c(c(CCl)c3ccccc13)C1c3ccccc3C2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL6156070 0.82 L3MBTL1 (0.37) L3MBTL1MEN1KMT2AGAAHTR2A
SCHEMBL6155387 0.82 TP53 (0.40) TP53CYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5872359 0.76 L3MBTL1 (0.54) L3MBTL1TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL19065035 0.74 L3MBTL1 (0.50) L3MBTL1TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL10902901 0.72 L3MBTL1 (0.45) L3MBTL1TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL12550563 0.71 MEN1 (0.40) L3MBTL1TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL187486 0.68 L3MBTL1 (0.67) L3MBTL1CYP1A2KDM4EALDH1A1MAPT
SCHEMBL29367505 0.68 L3MBTL1 (0.67) L3MBTL1CYP1A2KDM4EALDH1A1MAPT
SCHEMBL6154297 0.68 KDM4E (0.38) CYP3A4SMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL6155381 0.68 PADI4 (0.40) L3MBTL1TP53CYP3A4SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027399-B1 TRYPTICENE DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES, IN PARTICULAR AS ELECTROLUMINESCENT MATERIALS COVION ORGANIC SEMICONDUCTORS (DE) 2005-02-02 EP disclosed
EP-1027399-A1 TRYPTICENE DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES, IN PARTICULAR AS ELECTROLUMINESCENT MATERIALS Axiva GmbH (DE) 2000-08-16 EP disclosed
WO-1999019419-A1 TRYPTICENE DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES, IN PARTICULAR AS ELECTROLUMINESCENT MATERIALS AXIVA GMBH (DE) 1999-04-22 WO disclosed