SCHEMBL5375740

SCHEMBL5375740

Cc1ccc(S(=O)(=O)NN=CC2CCCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
STS P08842 3/20 0.41
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL5328711 1.00 MMP13 (0.45) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL5328714 1.00 MMP13 (0.45) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL18314687 0.97 LMNA (0.47) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL5330600 0.97 LMNA (0.47) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL5330597 0.97 LMNA (0.47) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL30259365 0.84 ALDH1A1 (0.44) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL22034167 0.83 MMP13 (0.45) MMP13ALDH1A1KMT2AMEN1STS
SCHEMBL22034168 0.83 MMP13 (0.45) MMP13ALDH1A1KMT2AMEN1STS
SCHEMBL5303335 0.82 KMT2A (0.43) MMP13LMNANPSR1ALDH1A1KMT2A
SCHEMBL5303340 0.82 KMT2A (0.43) MMP13LMNANPSR1ALDH1A1KMT2A

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
WO-2007039782-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed