SCHEMBL8790218

SCHEMBL8790218

COc1ccc(CN(C)C/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
CYP19A1 P11511 1/20 0.60
ACHE P22303 2/20 0.55
BCHE P06276 1/20 0.55
MMP1 P03956 1/20 0.52
KCNH2 Q12809 1/20 0.48
TLR9 Q9NR96 1/20 0.48
MAPT P10636 2/20 0.47
CDC25C P30307 1/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47

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
SCHEMBL8790222 1.00 PTGS2 (0.60) PTGS2CYP19A1ACHEBCHEMMP1
SCHEMBL8836082 0.88 ACHE (0.52) PTGS2CYP19A1ACHEKCNH2MAPT
SCHEMBL8836079 0.88 ACHE (0.52) PTGS2CYP19A1ACHEKCNH2MAPT
SCHEMBL3143902 0.84 ACHE (0.65) PTGS2CYP19A1ACHEBCHEKCNH2
SCHEMBL9827777 0.83 PTGS2 (0.68) PTGS2CYP19A1MMP1TLR9MAPT
SCHEMBL9827783 0.83 PTGS2 (0.68) PTGS2CYP19A1MMP1TLR9MAPT
SCHEMBL8789973 0.82 BCHE (0.57) CYP19A1ACHEBCHEKCNH2
SCHEMBL8789969 0.82 BCHE (0.57) CYP19A1ACHEBCHEKCNH2
SCHEMBL19249417 0.81 KCNH2 (0.64) KCNH2
SCHEMBL19249402 0.80 KCNH2 (0.62) KCNH2

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-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed