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SCHEMBL25660949

SCHEMBL25660949

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)c(C#N)cc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccc(C(F)(F)F)cc8C#N)c(C#N)cc7-n7c8ccccc8c8ccc(-c9ccc(C#N)cc9C#N)cc87)c6c5)c(C#N)cc4C#N)cc32)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ KIF11 P52732 2/20 0.33
▸ XDH P47989 2/20 0.32
▸ STS P08842 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ SOAT1 P35610 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL20112009 0.94 ALOX5AP (0.33) ALOX5APFEN1KIF11XDHSTS
SCHEMBL25659739 0.92 ALOX5AP (0.39) ALOX5APFEN1KIF11XDHSTS
SCHEMBL25659738 0.91 ALOX5AP (0.40) ALOX5APFEN1KIF11XDHSTS
SCHEMBL25659567 0.90 AR (0.34) STSPTGER4PDPK1
SCHEMBL25660950 0.90 ALOX5AP (0.43) ALOX5APFEN1KIF11XDHSTS
SCHEMBL25660951 0.90 ALOX5AP (0.43) ALOX5APFEN1KIF11XDHSTS
SCHEMBL21258719 0.88 ALOX5AP (0.36) ALOX5APFEN1KIF11XDHSTS
SCHEMBL21258718 0.88 ALOX5AP (0.36) ALOX5APFEN1KIF11XDHSTS
SCHEMBL25660930 0.88 KIF11 (0.41) ALOX5APFEN1KIF11XDHPTGER4
SCHEMBL25660929 0.88 KIF11 (0.41) ALOX5APFEN1KIF11XDHPDPK1

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
EP-3585777-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 — — EP disclosed