SCHEMBL6994502

SCHEMBL6994502

COc1cc(C(=O)c2nn(COC(=O)C(C)C)nc2C(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 2/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL5512240 0.89 LMNA (0.45) LMNACASP3SENP8SENP7SENP6
SCHEMBL6000006 0.86 LMNA (0.48) LMNACASP3SENP8SENP7SENP6
SCHEMBL5512810 0.85 LMNA (0.48) LMNACASP3SENP8SENP7SENP6
SCHEMBL5524848 0.80 LMNA (0.45) LMNACASP3SENP8SENP7SENP6
SCHEMBL5514064 0.79 LMNA (0.43) LMNACASP3SENP8SENP7SENP6
SCHEMBL5517319 0.79 LMNA (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL5510150 0.79 LMNA (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL5517871 0.78 POLB (0.43) LMNACASP3SENP8SENP7SENP6
SCHEMBL5518115 0.78 LMNA (0.47) LMNACASP3SENP8SENP7SENP6
SCHEMBL5517814 0.77 LMNA (0.46) LMNACASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026167-B1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND ANTIALLERGIC AGENTS MEIJI SEIKA KAISHA (JP) 2003-03-05 EP disclosed
EP-1026167-A1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND ANTIALLERGIC MEIJI SEIKA KAISHA LTD. (JP) 2000-08-09 EP disclosed