SCHEMBL4416754

SCHEMBL4416754

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3nc(C(F)(F)F)nc4ncc(Cl)cc34)C2=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
F10 P00742 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
SCHEMBL5032046 0.90 CCR2 (0.36) KCNH2ALDH1A1F10
SCHEMBL4415059 0.90 CCR2 (0.35) KMT2AKCNH2MCHR1TLR7F10
SCHEMBL4424128 0.88 CCR2 (0.35) KMT2ACSNK2A2CSNK2A1ALDH1A1F10
SCHEMBL4427802 0.84 F10 (0.34) KMT2AKCNH2MCHR1F10
SCHEMBL4421724 0.82 F10 (0.36) KMT2AKCNH2MCHR1F10
SCHEMBL4416711 0.82 CNR1 (0.37) KMT2AKCNH2MCHR1F10
SCHEMBL4417585 0.82 CNR1 (0.40) KMT2AF10
SCHEMBL4420896 0.82 CCR2 (0.36) KMT2AKCNH2MCHR1F10
SCHEMBL4413722 0.82 F10 (0.35) KMT2AKCNH2MCHR1ALDH1A1F10
SCHEMBL4428598 0.81 F10 (0.36) KMT2AF10

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-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP claimed