SCHEMBL6926084

SCHEMBL6926084

O=C(c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1)N1CCCN(CC2CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
PKM P14618 2/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD11B1 P28845 3/20 0.52
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.49
PKLR P30613 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
SCHEMBL3053691 0.86 LMNA (0.54) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6923759 0.86 POLB (0.57) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6922338 0.85 POLB (0.56) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6690056 0.84 POLB (0.51) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6925065 0.84 ALDH1A1 (0.57) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6923729 0.82 ALDH1A1 (0.52) POLBALDH1A1LMNAPKMTDP1
SCHEMBL6827869 0.81 ALDH1A1 (0.57) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6925711 0.80 PKM (0.46) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6925923 0.78 ALDH1A1 (0.58) POLBALDH1A1LMNAPKMRAB9A
SCHEMBL6827973 0.75 PKM (0.61) POLBALDH1A1LMNAPKMRAB9A

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