SCHEMBL22197331

SCHEMBL22197331

Oc1ccc(C2(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
CHRM2 P08172 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE4D Q08499 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL12531957 0.98 PDK2 (0.37) PDK2ESR1ESR2CHRM2ADORA3
SCHEMBL17804607 0.94 ESR1 (0.43) PDK2ESR1ESR2CHRM2ADORA3
SCHEMBL22211065 0.91 PDK2 (0.41) PDK2ESR1ESR2CHRM2ADORA3
SCHEMBL3869422 0.91 KDM4E (0.41) PDK2ESR1ESR2MAPTKDM4E
SCHEMBL22199546 0.90 PDK2 (0.45) PDK2ESR1ESR2CHRM2ADORA3
SCHEMBL22211071 0.89 PDK2 (0.42) PDK2ESR1ESR2CHRM2ADORA3
SCHEMBL22211078 0.88 ESR1 (0.42) PDK2ESR1ESR2CHRM2ADORA3
SCHEMBL17903055 0.88 MEN1 (0.47) PDK2ESR1ESR2MAPTKDM4E
SCHEMBL15866674 0.88 MEN1 (0.47) PDK2ESR1ESR2MAPTKDM4E
SCHEMBL12439941 0.87 KDM4E (0.42) PDK2MAPTKDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472901-B2 Polymer, coating composition comprising same, and organic light-emitting device using same LG CHEM, LTD. 2022-10-18 US disclosed
US-11374175-B2 Polymer, coating composition comprising same, and organic light-emitting device using same LG CHEM, LTD. 2022-06-28 US disclosed
US-20200239610-A1 Polymer, Coating Composition Comprising Same, and Organic Light-Emitting Device Using Same LG CHEM, LTD. (KR) 2020-07-30 US disclosed
US-20200235301-A1 Polymer, Coating Composition Comprising Same, and Organic Light-Emitting Device Using Same LG CHEM, LTD. (KR) 2020-07-23 US disclosed
EP-3677602-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2020-07-08 EP disclosed
EP-3677606-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2020-07-08 EP disclosed