SCHEMBL6154938

SCHEMBL6154938

O=Cc1c2c(c(C=O)c3ccccc13)C1c3ccccc3C2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.47
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
ERN1 O75460 3/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL6155381 0.91 PADI4 (0.40) PADI4MEN1KMT2AGAAERN1
SCHEMBL6155635 0.85 PADI4 (0.36) PADI4MEN1KMT2AGAAERN1
SCHEMBL986883 0.75 PADI4 (0.64) PADI4MEN1KMT2AERN1KDM4E
SCHEMBL29588097 0.75 PADI4 (0.64) PADI4MEN1KMT2AERN1KDM4E
SCHEMBL9511557 0.73 PADI4 (0.68) PADI4MEN1KMT2AERN1KDM4E
Iodide SCHEMBL9460922 0.73 PADI4 (0.61) PADI4MEN1KMT2AERN1KDM4E
Hydrochloric Acid SCHEMBL9397561 0.73 PADI4 (0.61) PADI4MEN1KMT2AERN1KDM4E
Bromide SCHEMBL11303999 0.73 PADI4 (0.61) PADI4MEN1KMT2AERN1KDM4E
SCHEMBL1666387 0.73 PADI4 (0.61) PADI4MEN1KMT2AERN1KDM4E
SCHEMBL5750183 0.70 PADI4 (0.52) PADI4MEN1KMT2AGAAERN1

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