SCHEMBL16657296

SCHEMBL16657296

C(=C/c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1)\c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.46
APP P05067 1/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
CTNNB1 P35222 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGES O14684 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
CHEK1 O14757 1/20 0.37
PTGS1 P23219 1/20 0.36

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
SCHEMBL16657297 0.97 RELA (0.44) RELAAPPESR1ESR2ALDH1A1
SCHEMBL16657294 0.97 RELA (0.46) RELAAPPESR1ESR2ALDH1A1
SCHEMBL16657279 0.93 RELA (0.45) RELAAPPESR1ESR2ALDH1A1
SCHEMBL12176708 0.92 RELA (0.47) RELAAPPESR1ESR2ALDH1A1
SCHEMBL10128912 0.91 RELA (0.55) RELAAPPESR1ESR2ALDH1A1
SCHEMBL10063909 0.91 ESR1 (0.46) ESR1ESR2ALDH1A1MAPTTDP1
SCHEMBL10063897 0.91 ESR1 (0.46) ESR1ESR2ALDH1A1MAPTTDP1
SCHEMBL10063919 0.91 ESR1 (0.46) ESR1ESR2ALDH1A1MAPTTDP1
SCHEMBL10063924 0.91 ESR1 (0.46) ESR1ESR2ALDH1A1MAPTTDP1
SCHEMBL12571732 0.91 RELA (0.46) RELAAPPALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905774-B2 Organic electronic material GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2018-02-27 US disclosed
US-9905774-B2 Organic electronic material GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2018-02-27 US disclosed
US-9871202-B2 Organic electroluminescent device GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2018-01-16 US disclosed
US-9871202-B2 Organic electroluminescent device GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2018-01-16 US disclosed
US-20150144898-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2015-05-28 US disclosed
US-20150144898-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2015-05-28 US disclosed
US-20150108448-A1 ORGANIC ELECTRONIC MATERIAL GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2015-04-23 US disclosed
US-20150108448-A1 ORGANIC ELECTRONIC MATERIAL GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2015-04-23 US disclosed