SCHEMBL7001918

SCHEMBL7001918

CCC(OC(=O)c1ncc[nH]1)n1nc(C(=O)O)c(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HTT P42858 1/20 0.40
PKM P14618 2/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.35
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.34
NTSR1 P30989 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5515282 0.92 LMNA (0.42) LMNACASP3SENP8SENP7SENP6
SCHEMBL8133514 0.82 HTT (0.44) LMNACASP3SENP8SENP7SENP6
SCHEMBL8133519 0.78 HTT (0.41) LMNACASP3SENP8SENP7SENP6
SCHEMBL5512894 0.75 HTT (0.42) LMNACASP3SENP8SENP7SENP6
SCHEMBL7665569 0.74 LMNA (0.42) LMNACASP3SENP8SENP7SENP6
SCHEMBL6093550 0.72 HTT (0.40) LMNACASP3SENP8SENP7SENP6
SCHEMBL8119465 0.71 LMNA (0.45) LMNACASP3SENP8SENP7SENP6
SCHEMBL6994502 0.69 LMNA (0.47) LMNACASP3SENP8SENP7SENP6
SCHEMBL5517663 0.69 LMNA (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL7001535 0.68 LMNA (0.42) 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 1 patent. 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