SCHEMBL8790237

SCHEMBL8790237

COc1ccc(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 5/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 2/20 0.46
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL8790287 0.85 ACHE (0.53) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8790830 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8790935 0.83 KMT2A (0.55) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8789055 0.82 ACHE (0.58) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8789713 0.81 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8790649 0.81 ALDH1A1 (0.52) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8789220 0.80 CDC25C (0.51) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8791400 0.78 KCNH2 (0.52) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL3143902 0.77 ACHE (0.65) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL8789063 0.77 KCNH2 (0.60) SMN1; SMN2LMNAALDH1A1KMT2AMEN1

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