SCHEMBL2668599

SCHEMBL2668599

CN(c1cccc2cc(C(=O)NCC(CN3CCCC(F)(F)C3)SCc3ccccc3)[nH]c12)[S+]([O-])c1cccs1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
PLCG2 P16885 1/20 0.32
ACKR3 P25106 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
SCHEMBL2661597 0.87 HDAC8 (0.32) HDAC8PLCG2
SCHEMBL13083371 0.80 PLCG2 (0.38) PLCG2ACKR3
SCHEMBL9072960 0.79 PLCG2 (0.37) PLCG2ACKR3
SCHEMBL2661595 0.78 BDKRB1 (0.32) HDAC8
SCHEMBL2976696 0.77 PLCG2 (0.33) PLCG2ACKR3
SCHEMBL2668839 0.74 KDM4E (0.35) PLCG2
SCHEMBL13083372 0.74 ACHE (0.39) PLCG2ACKR3
SCHEMBL2660077 0.74 ALDH1A1 (0.36) PLCG2
SCHEMBL2659017 0.74 PLCG2 (0.34) PLCG2ACKR3
SCHEMBL9073009 0.72 PLCG2 (0.37) PLCG2ACKR3

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-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed