SCHEMBL7313738

SCHEMBL7313738

COC(=O)c1cc(Cc2cccnc2)c(N)c(CN2CCCC2)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.43
POLB P06746 1/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 5/20 0.42
MMP13 P45452 5/20 0.42
ADAM17 P78536 3/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
BMP1 P13497 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
SCHEMBL7316354 0.93 NAMPT (0.42) NAMPTPOLBMMP1MMP9MMP13
SCHEMBL7315190 0.92 MMP9 (0.46) NAMPTPOLBMMP1MMP9MMP13
SCHEMBL7317531 0.88 NAMPT (0.47) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7322044 0.88 NAMPT (0.47) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7322273 0.87 NAMPT (0.48) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7316225 0.83 NAMPT (0.47) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7316589 0.83 NAMPT (0.47) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7314654 0.82 MMP9 (0.46) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7318942 0.82 MMP13 (0.52) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7318589 0.82 NAMPT (0.39) NAMPTMMP1MMP9MMP13ADAM17

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