SCHEMBL8790649

SCHEMBL8790649

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.52
ACHE P22303 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8790202 0.89 KCNH2 (0.54) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE
SCHEMBL8789459 0.87 MAPK1 (0.68) ALDH1A1SMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL8790287 0.86 ACHE (0.53) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE
SCHEMBL8790935 0.84 KMT2A (0.55) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE
SCHEMBL8788832 0.84 MAPK1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL8789055 0.83 ACHE (0.58) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE
SCHEMBL8788950 0.82 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL8789713 0.82 KMT2A (0.51) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE
SCHEMBL8789220 0.81 CDC25C (0.51) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE
SCHEMBL8790237 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPK1ACHE

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