SCHEMBL8790935

SCHEMBL8790935

COc1ccc(CN(C)C(=O)CCc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
CDK8 P49336 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
ACHE P22303 1/20 0.51
CDC25C P30307 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
KCNH2 Q12809 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.49
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 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
SCHEMBL8789713 0.93 KMT2A (0.51) KMT2ACDK8CLK4SMN1; SMN2MAPT
SCHEMBL8789220 0.92 CDC25C (0.51) KMT2ACDK8CLK4SMN1; SMN2MAPT
SCHEMBL8790387 0.90 CDK8 (0.67) KMT2ACDK8CLK4SMN1; SMN2MAPT
SCHEMBL8790287 0.88 ACHE (0.53) KMT2ASMN1; SMN2MAPTMEN1ACHE
SCHEMBL8789055 0.85 ACHE (0.58) KMT2ASMN1; SMN2MAPTMEN1ACHE
SCHEMBL8836582 0.84 CDK8 (0.52) KMT2ACDK8CLK4SMN1; SMN2MAPT
SCHEMBL8790714 0.84 ALDH1A1 (0.56) KMT2ASMN1; SMN2MAPTMEN1ACHE
SCHEMBL8790649 0.84 ALDH1A1 (0.52) KMT2ASMN1; SMN2MAPTMEN1ACHE
SCHEMBL15892683 0.84 KMT2A (0.67) KMT2ACDK8CLK4MEN1ACHE
SCHEMBL8790237 0.83 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2MAPTMEN1ACHE

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 5 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-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed