SCHEMBL25028187

SCHEMBL25028187

O=[N+]([O-])c1ccc(-c2nc3sc(-c4ccc([N+](=O)[O-])o4)nc3s2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ SLC2A1 P11166 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PDGFRB P09619 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
SCHEMBL25028313 0.81 ILK (0.49) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL12713530 0.79 RAB9A (0.58) MMP2MMP9MMP8MMP13LMNA
SCHEMBL25028124 0.78 MAPT (0.48) MMP2MMP9MMP8MMP13LMNA
SCHEMBL2506896 0.76 MMP2 (0.40) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL1997012 0.76 MGAM (0.53) MMP2MMP9MMP8MMP13LMNA
SCHEMBL7811413 0.73 IDO1 (0.50) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL16151139 0.73 MMP2 (0.40) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL11882511 0.72 TDP1 (0.40) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL27490376 0.72 MMP2 (0.40) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL26135464 0.71 CHEK1 (0.44) MMP2MMP9MMP8MMP13LMNA

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-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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