SCHEMBL17990697

SCHEMBL17990697

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccc7c8ccccc8oc7c6ccc54)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
MAPT P10636 10/20 0.36
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 7/20 0.35
POLB P06746 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 6/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL17246152 0.94 TSHR (0.38) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL23595274 0.93 TSHR (0.38) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL21365550 0.93 TSHR (0.38) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL21365796 0.93 TSHR (0.38) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL18564519 0.92 TSHR (0.35) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL22192576 0.91 KDM4E (0.37) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL22192607 0.91 KDM4E (0.37) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL23268641 0.91 TSHR (0.36) TSHRMAPTKDM4EATML3MBTL1
SCHEMBL18926323 0.91 TSHR (0.39) TSHRMAPTKDM4EALDH1A1POLB
SCHEMBL21365619 0.90 TSHR (0.40) TSHRMAPTKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed