SCHEMBL6923737

SCHEMBL6923737

CCCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
SLC2A1 P11166 1/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL6927936 0.88 ALDH1A1 (0.56) POLBALDH1A1LMNAGAAMAPT
SCHEMBL6831335 0.87 ALDH1A1 (0.67) POLBALDH1A1LMNAGAAMAPT
SCHEMBL6923759 0.86 POLB (0.57) POLBALDH1A1LMNATDP1PKM
SCHEMBL6827973 0.84 PKM (0.61) POLBALDH1A1LMNAGAATDP1
SCHEMBL6930350 0.84 ALDH1A1 (0.54) POLBALDH1A1LMNAGAAMAPT
SCHEMBL6929296 0.84 ALDH1A1 (0.58) POLBALDH1A1LMNAGAAMAPT
SCHEMBL6922336 0.83 ALDH1A1 (0.56) POLBALDH1A1LMNAGAAPKM
SCHEMBL3069679 0.82 ALDH1A1 (0.54) POLBALDH1A1LMNAGAAMAPT
SCHEMBL6922073 0.81 ALDH1A1 (0.64) POLBALDH1A1LMNAGAAMAPT
SCHEMBL6922338 0.81 POLB (0.56) POLBALDH1A1LMNATDP1PKM

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