SCHEMBL22650978

SCHEMBL22650978

Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(-n4c5sc6c(c7ccccc7n6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c5ccc6ccccc6c54)c3)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL22650642 0.87 L3MBTL1 (0.36) KDM4EABCG2
SCHEMBL26010394 0.83 KDM4E (0.39) KDM4EPOLBCTDSP1ABCG2
SCHEMBL20315575 0.82 KDM4E (0.32) KDM4EABCG2
SCHEMBL20315629 0.82 ABCG2 (0.31) ABCG2
SCHEMBL22650657 0.82 L3MBTL1 (0.36) KDM4E
SCHEMBL20315602 0.80 ABCG2 (0.32) KDM4EABCG2
SCHEMBL20315567 0.80 KDM4E (0.33) KDM4EABCG2
SCHEMBL20315572 0.79 KDM4E (0.33) KDM4EABCG2
SCHEMBL20315626 0.79 ABCG2 (0.32) KDM4EABCG2
SCHEMBL20315627 0.79 KDM4E (0.33) KDM4EABCG2

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
WO-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed