SCHEMBL7314523

SCHEMBL7314523

COC(=O)c1c(NCc2cccnc2)c(OC)c(OC)c(OC)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
GAA P10253 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
SCHEMBL7322218 0.93 NAMPT (0.55) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7418266 0.80 NAMPT (0.53) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7316583 0.78 NAMPT (0.53) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7322223 0.77 NAMPT (0.48) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7318935 0.76 MMP9 (0.53) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7317524 0.76 NAMPT (0.53) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7316220 0.76 NAMPT (0.53) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7325342 0.75 NAMPT (0.56) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL7318036 0.74 NAMPT (0.46) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7415784 0.74 NAMPT (0.53) NAMPTSMN1; SMN2ALDH1A1MMP1MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed