SCHEMBL6925065

SCHEMBL6925065

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCN(CC4CC4)CC3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
LMNA P02545 3/20 0.57
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
PKM P14618 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL6827869 0.97 ALDH1A1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL3069113 0.90 ALDH1A1 (0.60) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL6929296 0.88 ALDH1A1 (0.58) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL6925877 0.87 ALDH1A1 (0.58) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL6827768 0.86 ALDH1A1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL3061795 0.86 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2TDP1CYP2C9
SCHEMBL6925728 0.86 ALDH1A1 (0.56) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL3053691 0.85 LMNA (0.54) ALDH1A1LMNAPOLBTDP1PKM
SCHEMBL6923782 0.85 ALDH1A1 (0.55) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL6919941 0.85 ALDH1A1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2MAPT

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