SCHEMBL7316583

SCHEMBL7316583

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
ADAM17 P78536 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7318343 0.92 NAMPT (0.49) NAMPTMEN1KMT2AALDH1A1MMP1
SCHEMBL7318935 0.91 MMP9 (0.53) NAMPTMEN1KMT2AALDH1A1MMP1
SCHEMBL7316683 0.88 NAMPT (0.52) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7316220 0.87 NAMPT (0.53) NAMPTMEN1KMT2AALDH1A1MMP1
SCHEMBL7317524 0.87 NAMPT (0.53) NAMPTMEN1KMT2AALDH1A1MMP1
SCHEMBL7323200 0.84 MMP13 (0.50) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7325342 0.83 NAMPT (0.56) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7322798 0.80 NAMPT (0.49) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7322218 0.80 NAMPT (0.55) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7324861 0.79 NAMPT (0.52) 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