SCHEMBL8790202

SCHEMBL8790202

COc1ccc(CCN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
CDK8 P49336 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MEN1 O00255 1/20 0.52
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
LTB4R Q15722 2/20 0.48
LTB4R2 Q9NPC1 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8790649 0.89 ALDH1A1 (0.52) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8790726 0.88 ALDH1A1 (0.63) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8790512 0.87 KCNH2 (0.57) KCNH2KMT2ASMN1; SMN2MAPTCDK8
SCHEMBL8790387 0.86 CDK8 (0.67) KCNH2KMT2ASMN1; SMN2MAPTCDK8
SCHEMBL8789786 0.84 CDK8 (0.56) KMT2AMAPTCDK8CLK4MEN1
SCHEMBL8789844 0.84 CDK8 (0.58) KCNH2KMT2ASMN1; SMN2MAPTCDK8
SCHEMBL6573083 0.81 KCNH2 (0.76) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8789624 0.81 KCNH2 (0.71) KCNH2SMN1; SMN2MAPTBCHEACHE
SCHEMBL9053130 0.80 KCNH2 (0.67) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8789459 0.78 MAPK1 (0.68) KCNH2KMT2ASMN1; SMN2MAPTMEN1

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-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
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed