SCHEMBL6690056

SCHEMBL6690056

O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCCN(CC2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.50
PKM P14618 3/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 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
SCHEMBL3053691 0.85 LMNA (0.54) POLBALDH1A1LMNAPKMKMT2A
SCHEMBL6926084 0.84 POLB (0.56) POLBALDH1A1LMNAPKMKMT2A
SCHEMBL6695770 0.83 ALDH1A1 (0.56) POLBALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL6925065 0.83 ALDH1A1 (0.57) POLBALDH1A1LMNAPKMGAA
SCHEMBL6827869 0.80 ALDH1A1 (0.57) POLBALDH1A1LMNAPKMGAA
SCHEMBL6705341 0.80 ALDH1A1 (0.50) POLBALDH1A1LMNAPKMKMT2A
SCHEMBL6925711 0.77 PKM (0.46) POLBALDH1A1LMNAPKMKMT2A
SCHEMBL6923729 0.76 ALDH1A1 (0.52) POLBALDH1A1LMNAPKMGAA
SCHEMBL3069441 0.74 TSHR (0.60) ALDH1A1LMNAKMT2AGAASMN1; SMN2
SCHEMBL3077251 0.73 ALDH1A1 (0.57) POLBALDH1A1LMNAPKMGAA

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-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed