SCHEMBL6919941

SCHEMBL6919941

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCN(CCc4ccccc4)CC3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 2/20 0.49
TLR9 Q9NR96 1/20 0.49
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL6929296 0.90 ALDH1A1 (0.58) ALDH1A1LMNAMAPTGLACYP3A4
SCHEMBL6827768 0.88 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL3069113 0.88 ALDH1A1 (0.60) ALDH1A1LMNAMAPTGLACYP3A4
SCHEMBL6925728 0.88 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL3066690 0.87 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL6924871 0.87 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL6923782 0.87 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL6925877 0.86 ALDH1A1 (0.58) ALDH1A1LMNAMAPTGLACYP3A4
SCHEMBL6925065 0.85 ALDH1A1 (0.57) ALDH1A1LMNAMAPTGLACYP3A4
SCHEMBL6827869 0.84 ALDH1A1 (0.57) ALDH1A1LMNAMAPTGLACYP3A4

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