SCHEMBL22706355

SCHEMBL22706355

c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6cc45)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC4 P56524 2/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
MET P08581 1/20 0.36
GSTP1 P09211 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35

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
SCHEMBL22708160 0.96 KDM4E (0.44) KDM4EATML3MBTL1HDAC4HDAC2
SCHEMBL22707755 0.93 KDM4E (0.45) KDM4EATML3MBTL1HDAC4HDAC2
SCHEMBL22707523 0.92 KDM4E (0.38) KDM4EATML3MBTL1HDAC4HDAC2
SCHEMBL22705794 0.91 L3MBTL1 (0.46) KDM4EATML3MBTL1HDAC4GPR84
SCHEMBL22707779 0.90 L3MBTL1 (0.43) KDM4EATML3MBTL1HDAC4F2
SCHEMBL22705680 0.90 KDM4E (0.45) KDM4EATML3MBTL1HDAC4HDAC2
SCHEMBL22706308 0.90 L3MBTL1 (0.50) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL22707551 0.89 L3MBTL1 (0.42) KDM4EATML3MBTL1HDAC4F2
SCHEMBL22706374 0.89 KDM4E (0.46) KDM4EATML3MBTL1HDAC4HDAC8
SCHEMBL22706241 0.88 L3MBTL1 (0.49) KDM4EATML3MBTL1HDAC4KMT2A

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed