SCHEMBL6827973

SCHEMBL6827973

CCCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccc(Br)c3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.61
POLB P06746 1/20 0.57
ALDH1A1 P00352 7/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3075154 0.95 PKM (0.59) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6923759 0.89 POLB (0.57) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6927936 0.85 ALDH1A1 (0.56) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6923994 0.85 PKM (0.53) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6929296 0.85 ALDH1A1 (0.58) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6923737 0.84 POLB (0.52) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6831335 0.84 ALDH1A1 (0.67) PKMPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL6828049 0.84 ALDH1A1 (0.62) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6922338 0.84 POLB (0.56) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6922336 0.83 ALDH1A1 (0.56) PKMRAB9APOLBALDH1A1LMNA

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