SCHEMBL6155381

SCHEMBL6155381

Cc1c2c(c(C=O)c3ccccc13)C1c3ccccc3C2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.40
ERN1 O75460 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 6/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 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
SCHEMBL6154938 0.91 PADI4 (0.47) PADI4ERN1MEN1KMT2AGAA
SCHEMBL6155635 0.77 PADI4 (0.36) PADI4ERN1MEN1KMT2AGAA
SCHEMBL4164444 0.76 PADI4 (0.52) PADI4ERN1MEN1KMT2AKDM4E
SCHEMBL29802335 0.76 PADI4 (0.52) PADI4ERN1MEN1KMT2AKDM4E
SCHEMBL12550563 0.75 MEN1 (0.40) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1666901 0.72 PADI4 (0.48) PADI4ERN1KDM4ETHRBALDH1A1
SCHEMBL3272269 0.72 PADI4 (0.48) PADI4ERN1KDM4ETHRBALDH1A1
SCHEMBL9838922 0.70 PADI4 (0.45) PADI4ERN1MEN1KMT2AKDM4E
SCHEMBL30229866 0.70 PADI4 (0.45) PADI4ERN1MEN1KMT2AKDM4E
SCHEMBL29588097 0.68 PADI4 (0.64) PADI4ERN1MEN1KMT2AKDM4E

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