SCHEMBL7322218

SCHEMBL7322218

COc1ccc(S(=O)(=O)c2c(OC)c(OC)c(OC)c(NCc3cccnc3)c2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.55
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 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
PKM P14618 1/20 0.46

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
SCHEMBL7314523 0.93 NAMPT (0.55) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7316583 0.80 NAMPT (0.53) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7415784 0.80 NAMPT (0.53) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7325342 0.79 NAMPT (0.56) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7316683 0.76 NAMPT (0.52) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7318343 0.76 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7322223 0.76 NAMPT (0.48) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7418266 0.74 NAMPT (0.53) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7318036 0.74 NAMPT (0.46) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7311682 0.74 MMP1 (0.49) NAMPTALDH1A1MMP1MMP9MMP13

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