SCHEMBL16657294

SCHEMBL16657294

C(=C/c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)cc1)\c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CTNNB1 P35222 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 2/20 0.40
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
APP P05067 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16657296 0.97 RELA (0.46) RELAALDH1A1MAPTMEN1USP2
SCHEMBL16657297 0.95 RELA (0.44) RELAALDH1A1MAPTMEN1USP2
SCHEMBL16657279 0.93 RELA (0.45) RELAALDH1A1MAPTMEN1USP2
SCHEMBL10063984 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1
SCHEMBL10063963 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1
SCHEMBL24221860 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1
SCHEMBL10063880 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1
SCHEMBL22671082 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1
SCHEMBL10063968 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1
SCHEMBL10063946 0.90 ESR1 (0.44) ALDH1A1MEN1KMT2APTGESESR1

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 7 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