SCHEMBL21180563

SCHEMBL21180563

c1ccc(-n2c3ccccc3c3c(-c4cc5cc6oc7ccccc7c6cc5c5cc6ccccc6nc45)cccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ BRCA1 P38398 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16520841 0.86 KDM4E (0.38) KDM4EATML3MBTL1LMNAALDH1A1
SCHEMBL15946243 0.86 KDM4E (0.39) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL15946239 0.84 KDM4E (0.39) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180638 0.83 MAPT (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180679 0.80 SIRT2 (0.37) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180617 0.78 — —
SCHEMBL21180557 0.77 KDM4E (0.32) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180605 0.76 CYP1A1 (0.33) KDM4EATMMEN1ALDH1A1KMT2A
SCHEMBL20706786 0.76 KDM4E (0.44) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL23283935 0.75 SIRT2 (0.36) SIRT2SIRT1KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 — — US disclosed
Send feedback