SCHEMBL6827778

SCHEMBL6827778

CCCCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 2/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.47
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALPL P05186 1/20 0.42
WDR5 P61964 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6925435 0.91 ALDH1A1 (0.55) ALDH1A1LMNAPOLBKMT2AHSD17B10
SCHEMBL6922338 0.88 POLB (0.56) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL3071479 0.87 ALDH1A1 (0.52) ALDH1A1LMNAPOLBKMT2AHSD17B10
SCHEMBL6922336 0.86 ALDH1A1 (0.56) ALDH1A1LMNAPOLBKMT2AHSD17B10
SCHEMBL3069679 0.85 ALDH1A1 (0.54) ALDH1A1LMNAPOLB
SCHEMBL6920069 0.83 ALDH1A1 (0.49) ALDH1A1LMNAPOLBKMT2A
SCHEMBL6923759 0.82 POLB (0.57) ALDH1A1LMNAPOLB
SCHEMBL6920999 0.82 PKLR (0.48) ALDH1A1LMNAPOLBHSD17B10
SCHEMBL6828029 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPOLBKMT2AHSD17B10
SCHEMBL3075154 0.81 PKM (0.59) ALDH1A1LMNAPOLB

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
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed