SCHEMBL22136194

SCHEMBL22136194

c1ccc(-c2nc(-c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccc(-c6cc(-c7nc8ccccc8c8ccccc78)cc7c6sc6ccccc67)cc5)n4)cc3)nc(-c3ccc(-c4cc(-c5ccc6c(c5)ncc5ccccc56)cc5c4sc4ccccc45)cc3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
ALOX5 P09917 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
SCHEMBL22136337 0.90 KDM4E (0.38) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22136067 0.88 KDM4E (0.38) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22135991 0.87 LIMK1 (0.37) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22136109 0.86 MEN1 (0.42) MEN1KMT2AATMALOX5
SCHEMBL22136093 0.85 ALOX5 (0.37) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22136049 0.84 KDM4E (0.38) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22136112 0.83 KDM4E (0.38) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22136332 0.83 MAPT (0.39) KDM4EGPR3MEN1KMT2AATM
SCHEMBL22135986 0.83 MEN1 (0.41) MEN1KMT2AATMPIK3CAALOX5
SCHEMBL22136068 0.83 MEN1 (0.40) MEN1KMT2AATMALOX5

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-2020130553-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed