SCHEMBL7319068

SCHEMBL7319068

C=CCN(CC=C)C(=O)C=Cc1c(N)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 6/20 0.40
MMP9 P14780 9/20 0.38
MMP13 P45452 5/20 0.38
MMP1 P03956 4/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ADAM17 P78536 3/20 0.37
THRB P10828 1/20 0.37
MMP2 P08253 3/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7313925 0.94 MEN1 (0.41) MEN1KMT2ANAMPTMMP9MMP13
SCHEMBL7316303 0.93 MEN1 (0.42) MEN1KMT2ANAMPTMMP9MMP13
SCHEMBL7311152 0.90 MMP9 (0.42) MEN1KMT2ANAMPTMMP9MMP13
SCHEMBL7320922 0.90 NAMPT (0.44) MEN1KMT2ANAMPTMMP9MMP13
SCHEMBL7321334 0.85 NAMPT (0.42) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7317943 0.84 MMP9 (0.41) MEN1KMT2ANAMPTMMP9MMP13
SCHEMBL7317842 0.83 MMP9 (0.45) MEN1KMT2ANAMPTMMP9MMP13
SCHEMBL7324058 0.83 NAMPT (0.49) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7319145 0.81 NAMPT (0.47) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7317439 0.81 MMP13 (0.49) NAMPTMMP9MMP13MMP1ADAM17

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