SCHEMBL6927936

SCHEMBL6927936

CCCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 2/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 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
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL6923737 0.88 POLB (0.52) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL6831335 0.88 ALDH1A1 (0.67) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL6923759 0.85 POLB (0.57) ALDH1A1LMNAPOLBTDP1PKM
SCHEMBL6827973 0.85 PKM (0.61) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL6930350 0.85 ALDH1A1 (0.54) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL6929296 0.85 ALDH1A1 (0.58) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL6922073 0.82 ALDH1A1 (0.64) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL17331339 0.82 ALDH1A1 (0.65) ALDH1A1LMNAGAAPOLBTDP1
SCHEMBL6922336 0.81 ALDH1A1 (0.56) ALDH1A1LMNAGAAPOLBPKM
SCHEMBL6923994 0.81 PKM (0.53) ALDH1A1LMNAGAAPOLBTDP1

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