SCHEMBL7847971

SCHEMBL7847971

CC(C)C[C@@H](C(=O)Nn1c(=O)[nH]c2ccsc2c1=O)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 3/20 0.39
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL7843343 0.90 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7960589 0.90 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7845190 0.89 L3MBTL1 (0.41) SMN1; SMN2MMP1MMP3MMP9
SCHEMBL7845187 0.89 L3MBTL1 (0.41) SMN1; SMN2MMP1MMP3MMP9
SCHEMBL7849870 0.88 HPGD (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7849871 0.88 HPGD (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7953806 0.86 MMP1 (0.41) HPGDMEN1KMT2AMMP1MMP3
SCHEMBL7953804 0.86 MMP1 (0.41) HPGDMEN1KMT2AMMP1MMP3
SCHEMBL7839640 0.80 HPGD (0.41) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7853162 0.76 MMP1 (0.46) MEN1KMT2AMMP1MMP3MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed