SCHEMBL6156083

SCHEMBL6156083

Cc1ccc(S(=O)(=O)Cc2c3c(c(C#N)c4ccccc24)C2c4ccccc4C3c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
PKM P14618 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6156318 0.89 ALDH1A1 (0.41) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL6155153 0.73 KDM4E (0.34) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6154297 0.72 KDM4E (0.38) ALDH1A1PKMTSHRMAPK1KMT2A
SCHEMBL6155635 0.67 PADI4 (0.36) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL13461892 0.65 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL7380789 0.61 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL10379465 0.61 MEN1 (0.47) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL257997 0.61 MAPT (0.64) ALDH1A1TSHRKMT2ALMNATDP1
SCHEMBL14601731 0.60 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNATDP1
SCHEMBL990775 0.60 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAMAPT

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