SCHEMBL6925923

SCHEMBL6925923

CCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 3/20 0.57
POLB P06746 1/20 0.56
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3069679 0.91 ALDH1A1 (0.54) ALDH1A1LMNAPOLBPKMRAB9A
SCHEMBL6925605 0.87 POLB (0.59) ALDH1A1LMNAPOLBPKMRAB9A
SCHEMBL3077251 0.87 ALDH1A1 (0.57) ALDH1A1LMNAPOLBPKMRAB9A
SCHEMBL17331325 0.86 ALDH1A1 (0.62) ALDH1A1LMNAPOLBGAAMAPT
SCHEMBL3069113 0.85 ALDH1A1 (0.60) ALDH1A1LMNAPOLBPKMRAB9A
SCHEMBL6695770 0.84 ALDH1A1 (0.56) ALDH1A1LMNAPOLBPKMRAB9A
SCHEMBL17331314 0.83 ALDH1A1 (0.62) ALDH1A1LMNAPOLBRAB9AGAA
SCHEMBL17331339 0.83 ALDH1A1 (0.65) ALDH1A1LMNAPOLBPKMGAA
SCHEMBL6923759 0.82 POLB (0.57) ALDH1A1LMNAPOLBPKMRAB9A
SCHEMBL6922338 0.81 POLB (0.56) ALDH1A1LMNAPOLBPKMRAB9A

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