SCHEMBL6819770

SCHEMBL6819770

CCCCS(=O)(=O)NC(CCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.44
MMP3 P08254 4/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4A O75164 1/20 0.39

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
SCHEMBL6819772 1.00 MMP2 (0.44) MMP2MMP3POLBNPSR1ALDH1A1
SCHEMBL6818316 0.88 POLB (0.45) MMP2MMP3POLBNPSR1ALDH1A1
SCHEMBL6819841 0.84 SLC1A3 (0.45) MMP2MMP3ALDH1A1
SCHEMBL6819839 0.84 SLC1A3 (0.45) MMP2MMP3ALDH1A1
SCHEMBL6818664 0.82 HDAC3 (0.45) MMP2MMP3POLBNPSR1ALDH1A1
SCHEMBL8733191 0.77 BIRC2 (0.44) POLBITGB3ITGA2BSMN1; SMN2
SCHEMBL6032775 0.74 ITGB3 (0.64) MMP2MMP3POLBALDH1A1ITGB3
SCHEMBL10769571 0.74 ITGB3 (0.50) MMP2ITGB3ITGA2B
SCHEMBL10766047 0.72 MEN1 (0.43) ITGB3ITGA2B
SCHEMBL8728179 0.71 SIRT2 (0.47) POLBITGB3ITGA2B

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-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed