SCHEMBL6923994

SCHEMBL6923994

CCCCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)c(Br)c3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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 0.90 PKM (0.59) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL3069679 0.88 ALDH1A1 (0.54) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6922338 0.87 POLB (0.56) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6827768 0.86 ALDH1A1 (0.57) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6920069 0.85 ALDH1A1 (0.49) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6827973 0.85 PKM (0.61) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6925728 0.84 ALDH1A1 (0.56) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6922073 0.83 ALDH1A1 (0.64) PKMPOLBALDH1A1LMNATDP1
SCHEMBL6923782 0.83 ALDH1A1 (0.55) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6924871 0.83 ALDH1A1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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