SCHEMBL20707461

SCHEMBL20707461

c1ccc(N(c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2)c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
P2RX4 Q99571 9/20 0.36
APP P05067 2/20 0.34
P2RX1 P51575 2/20 0.34
PDE6D O43924 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CRHBP P24387 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL20707457 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL20707465 0.97 FAAH (0.40) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17943610 0.97 FAAH (0.40) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL20707543 0.97 FAAH (0.40) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL8365212 0.97 P2RX4 (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17265843 0.95 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL2222028 0.92 P2RX4 (0.40) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL15469887 0.92 P2RX4 (0.31) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL15469856 0.90 P2RX4 (0.32) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL14934719 0.90 P2RX4 (0.32) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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-3439062-B1 ORGANIC LIGHT EMITTING ELEMENT LG CHEMICAL LTD (KR) 2021-09-08 EP disclosed
US-20190148650-A1 Organic Light Emitting Device LG CHEM, LTD. (KR) 2019-05-16 US disclosed
EP-3439062-A1 ORGANIC LIGHT EMITTING ELEMENT LG Chem, Ltd. (KR) 2019-02-06 EP disclosed