SCHEMBL29953530

SCHEMBL29953530

O=Cc1c(-c2ccccc2F)[nH]c2c(F)cc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
APOL1 O14791 9/20 0.37
ALOX5 P09917 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CNR1 P21554 1/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL2557351 0.89 GSK3A (0.37) GSK3BGSK3AAPOL1
SCHEMBL29955474 0.89 GSK3B (0.37) GSK3BGSK3AAPOL1ALOX5TNKS
SCHEMBL15331395 0.88 AR (0.35) GSK3BALOX5TNKSTNKS2AR
SCHEMBL2558807 0.88 APOL1 (0.37) GSK3BGSK3AAPOL1ALOX5TNKS2
SCHEMBL2577085 0.87 APOL1 (0.40) GSK3BGSK3AAPOL1
SCHEMBL15330747 0.86 MAP2 (0.42) GSK3BAPOL1ALOX5TNKSTNKS2
SCHEMBL15331396 0.86 TNKS (0.39) GSK3BGSK3AAPOL1ALOX5TNKS
SCHEMBL2579477 0.86 APOL1 (0.39) GSK3BGSK3AAPOL1
SCHEMBL15332576 0.84 GSK3A (0.39) GSK3BGSK3AAPOL1CNR1
SCHEMBL15330874 0.84 CNR1 (0.40) GSK3BGSK3AALOX5TNKSTNKS2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed