SCHEMBL4595260

SCHEMBL4595260

Nc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPRC P08575 2/20 0.42
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
APAF1 O14727 2/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL6395307 0.91 AKR1C3 (0.40) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL16468080 0.90 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL1479590 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL29603078 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL3989714 0.84 PTPRC (0.57) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL31530764 0.84 PTPRC (0.57) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL17918103 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL4752339 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTTDP1KDM4E
SCHEMBL17917867 0.81 CA12 (0.43) ALDH1A1MAPTTDP1KDM4ECYP2C9
SCHEMBL17996236 0.80 ALDH1A1 (0.42) ALDH1A1MAPTTDP1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311141-B1 Red organic light emitting devices LG PHILIPS LCD CO LTD (KR) 2008-01-02 EP claimed
WO-2018215442-A1 USE OF PHOSPHINE OXIDE COMPOUNDS IN A SEMICONDUCTING LAYER COMPRISED IN AN ELECTRONIC DEVICE NOVALED GMBH (DE) 2018-11-29 WO disclosed
EP-3183758-A1 ORGANIC ELECTRONIC COMPONENT HAVING A CROSS-LINKED ORGANIC-ELECTRONIC FUNCTIONAL LAYER AND ALKINYLETHER USABLE FOR PRODUCTION OF SAID COMPONENT Fraunhofer Gesellschaft zur Förderung der angewandten Forschung E.V. (DE) 2017-06-28 EP disclosed
WO-2016046350-A1 FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY BASF SE (DE) 2016-03-31 WO disclosed
WO-2016026806-A1 ORGANIC ELECTRONIC COMPONENT HAVING A CROSS-LINKED ORGANIC-ELECTRONIC FUNCTIONAL LAYER AND ALKINYLETHER USABLE FOR PRODUCTION OF SAID COMPONENT Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2016-02-25 WO disclosed