SCHEMBL21117244

SCHEMBL21117244

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cccs5)c5nsnc45)s3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 13/20 0.48
▸ ADORA1 P30542 2/20 0.35
▸ PGR P06401 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 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
SCHEMBL18812527 0.92 PDK2 (0.38) PDK2
SCHEMBL15070070 0.86 PDK2 (0.53) PDK2ADORA1PGRKCNH2ALOX5
SCHEMBL15070069 0.80 PDK2 (0.48) PDK2ADORA1PGRKCNH2ALOX5
SCHEMBL14515081 0.80 PDK2 (0.39) PDK2
SCHEMBL25444705 0.79 PDK2 (0.41) PDK2
SCHEMBL14515088 0.79 PDK2 (0.41) PDK2
SCHEMBL22849302 0.79 PDK2 (0.41) PDK2
SCHEMBL25445887 0.78 PDK2 (0.40) PDK2
SCHEMBL32680912 0.78 MEN1 (0.34) PDK2
SCHEMBL17173801 0.78 PDK2 (0.33) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193057-B2 Fluorescent particles Life Technologies Corporation (US) 2021-12-07 — — US disclosed
US-20190194532-A1 Fluorescent Particles Life Technologies Corporation 2019-06-27 — — US disclosed
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